SCHEMBL459471

SCHEMBL459471

COc1nc2ccccc2n1C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
ATM Q13315 1/20 0.53
RAB9A P51151 8/20 0.53
NPC1 O15118 5/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 2/20 0.53
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
PKM P14618 1/20 0.50
CDK5 Q00535 1/20 0.50
PAX8 Q06710 1/20 0.50
CDK5R1 Q15078 1/20 0.50
RCE1 Q9Y256 1/20 0.50
GFER P55789 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL30189629 1.00 SMN1; SMN2 (0.57) SMN1; SMN2ATMRAB9ANPC1LMNA
SCHEMBL15987069 0.79 ATM (0.53) SMN1; SMN2ATMRAB9ANPC1LMNA
SCHEMBL21965349 0.79 SMN1; SMN2 (0.52) SMN1; SMN2ATMRAB9ANPC1LMNA
SCHEMBL13543523 0.79 RAB9A (0.54) SMN1; SMN2ATMRAB9ANPC1LMNA
SCHEMBL3974206 0.78 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1LMNATP53
SCHEMBL9702213 0.78 NQO2 (0.42) SMN1; SMN2ATMRAB9ANPC1LMNA
SCHEMBL7691107 0.78 NPC1 (0.56) SMN1; SMN2ATMRAB9ANPC1LMNA
SCHEMBL1701997 0.78 HTT (0.52) SMN1; SMN2ATMRAB9ANPC1LMNA
SCHEMBL11404384 0.77 RAB9A (0.51) SMN1; SMN2ATMRAB9ANPC1LMNA
SCHEMBL13071550 0.76 CYP1A2 (0.59) SMN1; SMN2RAB9ANPC1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021252307-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-12-16 WO disclosed
CN-108950645-B Aluminum and aluminum alloy anodic oxidation nickel-free sealing agent 上海铝通化学科技有限公司 2020-10-23 CN disclosed
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-10 US disclosed
US-20180297983-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-18 US disclosed
US-9550737-B2 TNF -α modulating benzimidazoles UCB BIOPHARMA SPRL (BE) 2017-01-24 US disclosed
US-9226921-B2 Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-05 US disclosed
US-20150152065-A1 TNF -Alpha Modulating Benzimidazoles UCB BIOPHARMA SPRL (BE) 2015-06-04 US disclosed
EP-2858983-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB Biopharma SPRL (BE) 2015-04-15 EP disclosed
US-8940758-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-27 US disclosed
US-8846713-B2 Fused heterocyclic compounds as phosphodiesterases (PDEs) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-30 US disclosed
US-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 US disclosed
WO-2013186229-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB PHARMA S.A. (BE) 2013-12-19 WO disclosed
US-20130303553-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-11-14 US disclosed
US-8563575-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-22 US disclosed
US-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS CROSSWING INC. (CA) 2013-07-04 US disclosed
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7589204-B2 Indane compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-09-15 US disclosed
US-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS YOUNGMAN MICHAEL 2009-07-23 US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 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 (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-20150152065-A1 TNF -Alpha Modulating Benzimidazoles TNF, TNFRSF1A, NFKBIA SMN1; SMN2 674/4885ATM 2223/4885RAB9A 1951/4885
US-20180297983-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS PADI4, PADI1, PADI2 SMN1; SMN2 4198/4885ATM 1593/4885RAB9A 4033/4885
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 SMN1; SMN2 4198/4885ATM 1593/4885RAB9A 4033/4885
US-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A SMN1; SMN2 3762/4885ATM 2211/4885RAB9A 694/4885
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A SMN1; SMN2 2125/4885ATM 2765/4885RAB9A 514/4885
US-20130303553-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A SMN1; SMN2 2125/4885ATM 2765/4885RAB9A 514/4885
US-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A SMN1; SMN2 3762/4885ATM 2211/4885RAB9A 694/4885
US-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CCL5, IDO1 SMN1; SMN2 4361/4885ATM 1771/4885RAB9A 2604/4885

“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.