SCHEMBL1413482

SCHEMBL1413482

COC(=O)c1cncc(C#N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
ALDH1A1 P00352 2/20 0.46
XDH P47989 2/20 0.46
CYP2A6 P11509 1/20 0.46
CYP11B1 P15538 4/20 0.44
CYP11B2 P19099 4/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
GFER P55789 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
FUT7 Q11130 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRM5 P41594 1/20 0.41
EGLN2 Q96KS0 1/20 0.41
RAF1 P04049 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
SCHEMBL746643 0.83 ATM (0.59) ATMALDH1A1XDHCYP2A6CYP11B1
SCHEMBL1185505 0.82 GPR119 (0.43) ATMXDHCYP11B1CYP11B2RAF1
SCHEMBL509479 0.82 CYP2C9 (0.62) ATMALDH1A1CYP11B1CYP11B2KDM4E
SCHEMBL23012593 0.81 ATM (0.57) ATMALDH1A1XDHCYP2A6CYP11B1
SCHEMBL56951 0.81 ATM (0.77) ATMALDH1A1XDHCYP2A6CYP11B1
SCHEMBL9296654 0.80 CYP11B2 (0.50) ALDH1A1XDHCYP11B1CYP11B2RAF1
SCHEMBL2228514 0.80 CA1 (0.52) ATMALDH1A1XDHCYP11B1CYP11B2
SCHEMBL4747234 0.80 CA12 (0.52) ALDH1A1XDHCYP11B1CYP11B2KDM4E
SCHEMBL3818674 0.79 XDH (0.49) ALDH1A1XDHKDM4EGRM5EGLN2
Hydrochloric Acid SCHEMBL2298745 0.79 ATM (0.74) ATMALDH1A1XDHCYP2A6CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed
EP-3704113-B1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-10-11 EP disclosed
CN-116120226-A Synthesis process of 5-hydroxymethyl nicotinonitrile 湖南阿斯迪康药业有限公司 2023-05-16 CN disclosed
CN-115052873-A Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors 勃林格殷格翰国际有限公司 2022-09-13 CN disclosed
WO-2022155419-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2022-07-21 WO disclosed
CN-111825654-A Phenylmethylene piperidine derivatives, preparation method, intermediates and uses thereof 北京酷瓴生物技术有限公司 2020-10-27 CN disclosed
WO-2020211836-A1 BENZENE PIPERIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND USE THEREOF 北京酷瓴生物技术有限公司 2020-10-22 WO disclosed
EP-3704113-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2020-09-09 EP disclosed
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
CN-111295382-A Bridged bicyclic compounds as modulators of farnesoid X receptors 百时美施贵宝公司 2020-06-16 CN disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US disclosed
EP-1699761-A1 CB1 MODULATOR COMPOUNDS ELI LILLY AND COMPANY (US) 2006-09-13 EP disclosed
WO-2005066126-A1 CB1 MODULATOR COMPOUNDS ELI LILLY AND COMPANY (US) 2005-07-21 WO disclosed
CN-1043760-C \"Pyridinecarboximidamide compounds and the use thereof\ KIRN BEER KABUSHIKI KAISHA (JP) 1999-06-23 CN disclosed
EP-0634400-B1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BREWERY (JP) 1997-04-02 EP disclosed
US-5508293-A TREATING HYPERTENSION, ANGINA PECTORIS KIRIN BEER KABUSHIKI KAISHA (JP) 1996-04-16 US disclosed
EP-0634400-A1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BEER KABUSHIKI KAISHA (JP) 1995-01-18 EP disclosed
CN-1077949-A Pyridine carboxy imido acid amide compound and application thereof KIRIN BREWERY (JP) 1993-11-03 CN 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 (2 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-20070088018-A1 Cb1 antagonist compounds CNR1, CNR2, CHRNA5 ATM 2665/4885ALDH1A1 3227/4885XDH 3389/4885
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 ATM 2252/4885ALDH1A1 2602/4885XDH 256/4885

“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.