SCHEMBL6128786

SCHEMBL6128786

CN[C@@H]1CCCN(Cc2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
ALDH1A1 P00352 1/20 0.60
BCHE P06276 5/20 0.57
ACHE P22303 3/20 0.57
BACE1 P56817 3/20 0.57
KAT2B Q92831 5/20 0.55
ROCK2 O75116 2/20 0.52
ROCK1 Q13464 2/20 0.52
KDM4E B2RXH2 1/20 0.51
CCR2 P41597 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL350928 1.00 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL2730825 1.00 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL724604 0.90 ACHE (0.69) BCHEACHEBACE1
SCHEMBL242760 0.90 ACHE (0.69) BCHEACHEBACE1
SCHEMBL242759 0.90 ACHE (0.69) BCHEACHEBACE1
Bromide SCHEMBL2497824 0.89 ACHE (0.68) BCHEACHEBACE1
SCHEMBL4621350 0.88 ACHE (0.60) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL27735117 0.86 ACHE (0.59) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL16386020 0.86 CYP1A2 (0.62) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL14252995 0.85 ALDH1A1 (0.57) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137608-B Janus kinase 1 selective inhibitor and pharmaceutical application thereof 阳智化学(株) 2020-06-19 CN disclosed
US-10407430-B2 Janus kinase 1 selective inhibitor and pharmaceutical use thereof YANG JI CHEMICAL CO., LTD. (KR) 2019-09-10 US disclosed
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF YANG JI CHEMICAL CO., LTD. (KR) 2018-08-23 US disclosed
US-10005767-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
CN-108137608-A Janus kinase 1 selective inhibitor and pharmaceutical application thereof 阳智化学(株) 2018-06-08 CN disclosed
EP-3327021-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF Yangji Chemical Co., Ltd. (KR) 2018-05-30 EP disclosed
US-20170137411-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2017-05-18 US disclosed
US-9566283-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 US disclosed
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 US disclosed
US-8507675-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8324200-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
WO-2012058645-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2012-05-03 WO disclosed
US-20120046245-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-02-23 US disclosed
US-20120016131-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-19 US disclosed
US-20120016122-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-19 US disclosed
US-20120010406-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-12 US disclosed
US-20120010407-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-12 US disclosed
US-20100190770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-07-29 US disclosed
US-7432370-B2 Mixing a racemic mixture of enantiomers of pyrrolo[2,3-d]pyrimidine compounds in a solvent, with a resolving compound having a defined stereospecificity, to form a solution and with resolving agent being capable of binding with enantiomers to form a precipitate collecting precipitate and purifying PFIZER INC. (US) 2008-10-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10407430-B2 Janus kinase 1 selective inhibitor and pharmaceutical use thereof JAK1, JAK2, JAK3 CYP1A2 637/4885CYP3A4 1945/4885CYP2D6 1311/4885
US-20120010407-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP1A2 2611/4885CYP3A4 3814/4885CYP2D6 3036/4885
US-20170137411-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP1A2 2611/4885CYP3A4 3814/4885CYP2D6 3036/4885
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF JAK1, JAK2, JAK3 CYP1A2 2632/4885CYP3A4 1730/4885CYP2D6 1607/4885
US-20120016122-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP1A2 2611/4885CYP3A4 3814/4885CYP2D6 3036/4885
US-20100190770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP1A2 2611/4885CYP3A4 3814/4885CYP2D6 3036/4885
US-20120010406-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP1A2 2611/4885CYP3A4 3814/4885CYP2D6 3036/4885
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS TEC, ABL1, LCK CYP1A2 4339/4885CYP3A4 4034/4885CYP2D6 4098/4885
US-20120016131-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP1A2 2611/4885CYP3A4 3814/4885CYP2D6 3036/4885
US-10005767-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 CYP1A2 2611/4885CYP3A4 3814/4885CYP2D6 3036/4885
US-20120046245-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP1A2 2611/4885CYP3A4 3814/4885CYP2D6 3036/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.