SCHEMBL321546

SCHEMBL321546

Cc1cnc(NC(=O)O)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
RAB9A P51151 5/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
BLM P54132 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ABL1 P00519 1/20 0.39
LMNA P02545 1/20 0.39
CHEK1 O14757 1/20 0.38
GCK P35557 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38

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
SCHEMBL2227323 0.85 PTK2 (0.52) NOTUMRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL30099805 0.83 NOTUM (0.48) NOTUMRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL2036063 0.83 NOTUM (0.48) NOTUMRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL21695369 0.82 NOTUM (0.50) NOTUMRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL2629363 0.82 NOTUM (0.47) NOTUMRAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2216038 0.80 NPC1 (0.59) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL2629365 0.80 NOTUM (0.56) NOTUMRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL1723145 0.80 NOTUM (0.56) NOTUMRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL26764538 0.80 NOTUM (0.46) NOTUMRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL1379623 0.80 HCAR3 (0.59) NOTUMRAB9AMAPTNPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN claimed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US claimed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP claimed
WO-2024046512-A2 NITROGEN-CONTAINING MACROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2024-03-07 WO disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
US-10660888-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2020-05-26 US disclosed
US-10556889-B1 Salvinorin derivatives Blue Sky Pharmaceuticals, LLC (US) 2020-02-11 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
US-20190247392-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2019-08-15 US disclosed
US-20100210621-A1 CRYSTALLINE POLYMORPHIC FORM 631 ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-20100210841-A1 CHEMICAL PROCESS 632 ASTRAZENECA AB (SE) 2010-08-19 US disclosed
WO-2010092386-A1 CRYSTALLINE POLYMORPHIC FORM 631 ASTRAZENECA AB (SE) 2010-08-19 WO disclosed
WO-2010092387-A1 PROCESS FOR PREPARATION OF BEZOYL AMINO HETEROCYCLYL COMPOUNDS ASTRAZENECA AB (SE) 2010-08-19 WO disclosed
US-20100113510-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-05-06 US disclosed
WO-2010013161-A1 FLUORINATED HETEROARYLS PFIZER INC. (US) 2010-02-04 WO disclosed
EP-2121137-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2009-11-25 EP disclosed
WO-2009127949-A1 4- [3- (ARYLOXY) BENZYLIDENE] -3-METHYL PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2009-10-22 WO disclosed
WO-2008075005-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-06-26 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 (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-20190247392-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 NOTUM 3016/4885RAB9A 1597/4885MAPT 1600/4885
US-20100210841-A1 CHEMICAL PROCESS 632 F12, XDH, REN NOTUM 3593/4885RAB9A 951/4885MAPT 3277/4885
US-10660888-B2 Aminoheteroaryl benzamides as kinase inhibitors ABL1, MAP3K12, MAP3K2 NOTUM 3016/4885RAB9A 1597/4885MAPT 1600/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 NOTUM 1504/4885RAB9A 667/4885MAPT 1432/4885
US-10556889-B1 Salvinorin derivatives OPRD1, OPRK1, OPRL1 NOTUM 4094/4885RAB9A 1009/4885MAPT 4659/4885
US-20100113510-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 NOTUM 3006/4885RAB9A 747/4885MAPT 3226/4885
US-20100210621-A1 CRYSTALLINE POLYMORPHIC FORM 631 GCKR, GCK, HK1 NOTUM 2941/4885RAB9A 3615/4885MAPT 3304/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 NOTUM 1442/4885RAB9A 748/4885MAPT 1155/4885

“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.