Sugi Predict

Sugi Predict / Compounds / SCHEMBL9611030

SCHEMBL9611030

SCHEMBL9611030

CCCCOc1cccn2c(Br)cnc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ MCHR1 Q99705 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36
▸ PDE5A O76074 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL9611031 0.81 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19MCHR1CYP3A4
SCHEMBL23104566 0.80 PIK3CA (0.38) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL4550300 0.78 CYP19A1 (0.39) CYP1A2CYP2C9CYP2C19MCHR1CYP3A4
SCHEMBL182618 0.77 ATP4A (0.54) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL13194834 0.76 TLR7 (0.43) CYP1A2CYP2C9CYP2C19MCHR1CYP3A4
SCHEMBL10643597 0.71 ATP4A (0.66) CYP1A2CYP2C9CYP2C19MCHR1CYP3A4
SCHEMBL22200842 0.71 HDAC8 (0.45) —
SCHEMBL10644935 0.70 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19MCHR1CYP3A4
SCHEMBL11710806 0.70 KDM4E (0.53) CYP1A2CYP2C9CYP2C19MCHR1CYP3A4
SCHEMBL19042135 0.69 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19MCHR1CYP3A4

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278971-B2 Substituted acetylenic pyrazolo[1,5-a]pyrimidines as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-08 — — US disclosed
US-9029533-B2 Substituted acetylenic imidazo[1,2-A]pyridazines as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-05-12 — — US disclosed
US-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases ARIAD PHARMACEUTICALS, INC. 2015-04-16 — — US disclosed
US-20140288082-A1 Bicyclic Heteroaryl Compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2014-09-25 — — US disclosed
US-8778942-B2 Substituted acetylenic imidazo[1,2-A]pyrazine compounds as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-07-15 — — US disclosed
US-20140066434-A1 Methods and Compositions for Treating Parkinson's Disease ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 — — US disclosed
US-20140045826-A1 METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES ARIAD PHARMACEUTICALS, INC. (US) 2014-02-13 — — US disclosed
WO-2013162727-A1 METHODS AND COMPOSITIONS FOR RAF KINASE MEDIATED DISEASES ARIAD PHARMACEUTICALS, INC. (US) 2013-10-31 — — WO disclosed
US-20130231337-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-09-05 — — US disclosed
US-20130196979-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-08-01 — — US disclosed
WO-2013101281-A1 METHODS AND COMPOSITIONS FOR TREATING PARKINSON'S DISEASE ARIAD PHARMACEUTICALS, INC. (US) 2013-07-04 — — WO disclosed
US-8470851-B2 Substituted acetylenic imidazo[1,2-A]pyridine compounds as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-06-25 — — US disclosed
EP-1973545-B1 BICYCLIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2013-01-30 — — EP disclosed
WO-2012139027-A1 METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES ARIAD PHARMACEUTICALS, INC. (US) 2012-10-11 — — WO disclosed
US-20120135986-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2012-05-31 — — US disclosed
US-8114874-B2 Substituted acetylenic imidazo[1,2-B]pyridazine compounds as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2012-02-14 — — US disclosed
US-20070191376-A1 Bicyclic heteroaryl compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2007-08-16 — — US disclosed
WO-2007075869-A2 BICYCLIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2007-07-05 — — WO 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 (8 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-20140066434-A1 Methods and Compositions for Treating Parkinson's Disease PARK7, SNCA, HTT CYP1A2 2002/4885CYP2C9 1641/4885CYP2C19 987/4885
US-20130196979-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 CYP1A2 6/4885CYP2C9 21/4885CYP2C19 22/4885
US-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases BRAF, RAF1, NRAS CYP1A2 3964/4885CYP2C9 4203/4885CYP2C19 4473/4885
US-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 CYP1A2 6/4885CYP2C9 21/4885CYP2C19 22/4885
US-20140045826-A1 METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES HTT, MAPT, SNCA CYP1A2 3664/4885CYP2C9 3552/4885CYP2C19 3453/4885
US-20140288082-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 CYP1A2 6/4885CYP2C9 21/4885CYP2C19 22/4885
US-20130231337-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 CYP1A2 6/4885CYP2C9 21/4885CYP2C19 22/4885
US-20120135986-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 CYP1A2 6/4885CYP2C9 21/4885CYP2C19 22/4885

“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.