SCHEMBL17055357

SCHEMBL17055357

CC1(C)OCCN(c2ccc([N+](=O)[O-])nc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.53
▸ MAPT P10636 5/20 0.49
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CHRNB2 P17787 3/20 0.40
▸ CHRNA4 P43681 3/20 0.40
▸ CHRNB4 P30926 2/20 0.40
▸ CHRNA3 P32297 2/20 0.40
▸ PIK3CD O00329 7/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ PIK3CG P48736 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL17055355 0.80 PIK3CD (0.43) RAB9ASMN1; SMN2PIK3CDPIK3CAPIK3CG
SCHEMBL24993539 0.79 PIK3CD (0.45) POLBCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL27694801 0.76 POLB (0.65) POLBMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL17108485 0.75 POLB (0.64) POLBMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL18053732 0.74 POLB (0.63) POLBMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL18630806 0.74 MAPT (0.47) MAPTPIK3CDPIK3CAPIK3CGALDH1A1
SCHEMBL23104347 0.71 POLB (0.58) POLBMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL30778447 0.71 MAPT (0.54) POLBMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL18631240 0.71 CACNA1B (0.43) MAPTRAB9ASMN1; SMN2PIK3CDPIK3CA
SCHEMBL17054792 0.70 MAPT (0.68) POLBMAPTRAB9ASMN1; SMN2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-31 — — US disclosed
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-31 — — US disclosed
US-9630970-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2017-04-25 — — US disclosed
US-9630970-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2017-04-25 — — US disclosed
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-13 — — US disclosed
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-13 — — US disclosed
US-9340540-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2016-05-17 — — US disclosed
US-9340540-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2016-05-17 — — US disclosed
US-20150266875-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-24 — — US disclosed
US-20150266875-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-24 — — US disclosed
WO-2015131080-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2015-09-03 — — 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 (3 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-20150266875-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 POLB 1657/4885MAPT 1236/4885RAB9A 3462/4885
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 POLB 1657/4885MAPT 1236/4885RAB9A 3462/4885
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 POLB 1657/4885MAPT 1236/4885RAB9A 3462/4885

“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.

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