SCHEMBL4476065

SCHEMBL4476065

CCc1ccc(OCC#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
SLC2A1 P11166 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
SOD1 P00441 1/20 0.41
NQO1 P15559 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH2 P05091 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL10899332 0.84 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1HPGDLMNAL3MBTL1
SCHEMBL4112427 0.83 RAB9A (0.54) SMN1; SMN2LMNAMAPTRAB9ANPC1
SCHEMBL6573094 0.81 GAA (0.42) SMN1; SMN2ALDH1A1HPGDSLC2A1L3MBTL1
SCHEMBL8277612 0.80 GAA (0.54) CYP2A6SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL12869171 0.80 HSD17B10 (0.54) SMN1; SMN2ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL7381752 0.79 CA12 (0.50) CYP2A6SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL19948940 0.79 FFAR1 (0.38) SMN1; SMN2ALDH1A1HPGDSLC2A1L3MBTL1
SCHEMBL634485 0.79 FFAR1 (0.38) SMN1; SMN2ALDH1A1HPGDSLC2A1L3MBTL1
SCHEMBL31391958 0.79 HRH3 (0.41) SMN1; SMN2ALDH1A1HPGDSLC2A1L3MBTL1
SCHEMBL634910 0.79 LTA4H (0.45) SMN1; SMN2ALDH1A1HPGDSLC2A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250122182-A1 MYST Inhibitors Isosterix, Inc. 2025-04-17 US disclosed
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 US disclosed
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2022-12-15 US disclosed
US-9814722-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-11-14 US disclosed
EP-2343298-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORP (US) 2015-05-06 EP disclosed
EP-2348023-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORP (US) 2015-05-06 EP disclosed
US-20120253038-A1 PROCESSES FOR THE SYNTHESIS OF BAZEDOXIFENE ACETATE AND INTERMEDIATES THEREOF SANDOZ AG (CH) 2012-10-04 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 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 (6 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 CYP2A6 470/4885SMN1; SMN2 4730/4885ALDH1A1 1062/4885
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CYP2A6 2442/4885SMN1; SMN2 3741/4885ALDH1A1 3413/4885
US-20120253038-A1 PROCESSES FOR THE SYNTHESIS OF BAZEDOXIFENE ACETATE AND INTERMEDIATES THEREOF CYP19A1, HSD17B11, CYP2F1 CYP2A6 6/4885SMN1; SMN2 4718/4885ALDH1A1 285/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 CYP2A6 2442/4885SMN1; SMN2 3741/4885ALDH1A1 3413/4885
US-20250122182-A1 MYST Inhibitors MNAT1, SUGT1, ACAT2 CYP2A6 4365/4885SMN1; SMN2 3192/4885ALDH1A1 3906/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK CYP2A6 1003/4885SMN1; SMN2 3820/4885ALDH1A1 780/4885

“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.