SCHEMBL12469044

SCHEMBL12469044

O=C(Nc1ccncc1)c1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.64
RAB9A P51151 6/20 0.64
SMN1; SMN2 Q16637 6/20 0.64
GRM4 Q14833 4/20 0.64
PKM P14618 3/20 0.64
KDR P35968 3/20 0.64
MAPT P10636 2/20 0.64
JAK2 O60674 2/20 0.62
TYK2 P29597 2/20 0.62
HDAC6 Q9UBN7 1/20 0.61
KDM4E B2RXH2 2/20 0.60
MITF O75030 1/20 0.60
LMNA P02545 1/20 0.60
KCNK3 O14649 1/20 0.59
KCNK9 Q9NPC2 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
HTT P42858 2/20 0.58
TP53 P04637 1/20 0.57
MAPK1 P28482 1/20 0.57
KLF5 Q13887 1/20 0.57

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
SCHEMBL29581099 1.00 NPC1 (0.64) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL30210285 0.93 NPC1 (0.61) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL231897 0.89 KDR (0.78) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL29184186 0.87 KDR (0.76) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL28947571 0.84 NPC1 (0.67) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL5898991 0.82 GRM4 (0.60) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL10415452 0.82 GRM4 (0.65) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL6037590 0.82 KDR (0.78) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL20990144 0.82 NPC1 (0.67) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL6037587 0.82 NPC1 (0.65) NPC1RAB9ASMN1; SMN2GRM4PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426682-B1 COMBINATION OF A CXCR4 ANTAGONIST AND AN IMMUNE CHECKPOINT INHIBITOR PROXIMAGEN LLC (US) 2023-06-07 EP claimed
US-12570645-B2 Uses of p53 x-ray co-crystal structures PMV PHARMACEUTICALS, INC. (US) 2026-03-10 US disclosed
US-20260027097-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS INC (US) 2026-01-29 US disclosed
US-20250319063-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. 2025-10-16 US disclosed
US-12419880-B2 Companion diagnostic tool for mutant p53 reactivating compounds PMV PHARMACEUTICALS, INC. (US) 2025-09-23 US disclosed
US-20240269126-A1 COMBINATION THERAPY FOR TREATMENT OF CANCER PMV PHARMACEUTICALS, INC. 2024-08-15 US disclosed
US-11938124-B2 Combination therapy for treatment of cancer PMV PHARMACEUTICALS, INC. (US) 2024-03-26 US disclosed
CN-116710090-A Heteroaryl amide inhibitors of CD38 NAPA医疗有限公司 2023-09-05 CN disclosed
EP-4225310-A1 HETEROARYL AMIDE INHIBITORS OF CD38 Napa Therapeutics Ltd. (VG) 2023-08-16 EP disclosed
EP-3617196-B1 N-(4-PYRIDYL) NICOTINAMIDE COMPOUND OR SALT THEREOF ISHIHARA SANGYO KAISHA (JP) 2023-06-07 EP disclosed
CN-110520130-A USL-311 for treating cancer PROXIMAGEN GROUP LTD 2019-11-29 CN disclosed
US-20180273564-A1 CARBON MONOXIDE RELEASING MOLECULES AUCKLAND UNISERVICES LIMITED (NZ) 2018-09-27 US disclosed
CN-107438437-A Novel treatment for cancer 普罗克斯马根有限公司 2017-12-05 CN disclosed
US-9808447-B2 Inhibitors of Rho associated protein kinases (ROCK) and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-11-07 US disclosed
US-20170049760-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-02-23 US disclosed
US-9409868-B2 Inhibitors of rho associated protein kinases (ROCK) and methods of use H. Lee Moffin Cancer Center and Research Institute, Inc. (US) 2016-08-09 US disclosed
US-20140336440-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2014-11-13 US disclosed
EP-2627649-A1 CXCR4 RECEPTOR ANTAGONISTS Proximagen Limited (GB) 2013-08-21 EP disclosed
WO-2013112722-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2013-08-01 WO disclosed
WO-2012049277-A1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2012-04-19 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 (9 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-20140336440-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE ROCK1, ROCK2, CIT NPC1 3255/4885RAB9A 502/4885SMN1; SMN2 3711/4885
US-11938124-B2 Combination therapy for treatment of cancer TP53, KRAS, TP53BP1 NPC1 3401/4885RAB9A 2955/4885SMN1; SMN2 3848/4885
US-20250319063-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION TP53, TP53BP1, KRAS NPC1 2254/4885RAB9A 2434/4885SMN1; SMN2 3942/4885
US-20180273564-A1 CARBON MONOXIDE RELEASING MOLECULES MB, HMOX1, HMOX2 NPC1 1698/4885RAB9A 2322/4885SMN1; SMN2 351/4885
US-20260027097-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, BRCA1 NPC1 3278/4885RAB9A 284/4885SMN1; SMN2 3167/4885
US-20170049760-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE ROCK1, ROCK2, CIT NPC1 3255/4885RAB9A 502/4885SMN1; SMN2 3711/4885
US-12570645-B2 Uses of p53 x-ray co-crystal structures TP53, TP53BP1, ERCC2 NPC1 2874/4885RAB9A 1423/4885SMN1; SMN2 4175/4885
US-20240269126-A1 COMBINATION THERAPY FOR TREATMENT OF CANCER TP53, KRAS, TP53BP1 NPC1 3401/4885RAB9A 2955/4885SMN1; SMN2 3848/4885
US-12419880-B2 Companion diagnostic tool for mutant p53 reactivating compounds TP53, TP53BP1, KRAS NPC1 3688/4885RAB9A 809/4885SMN1; SMN2 3967/4885

“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.