SCHEMBL1896258

SCHEMBL1896258

Fc1ccc(-n2cc[c]n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
FLT3 P36888 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MGLL Q99685 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAPT P10636 3/20 0.32
UBE2N P61088 1/20 0.32
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRM4 Q14833 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL344002 0.81 NOTUM (0.48) NOTUMKDM4EFLT3NPC1RAB9A
SCHEMBL2753713 0.80 RXRA (0.36) MGLLMAPTRXRAGRIN1GRIN2B
SCHEMBL7229166 0.79 NOTUM (0.47) NOTUMKMT2AL3MBTL1KDM4EFLT3
SCHEMBL17710272 0.79 NOTUM (0.41) NOTUML3MBTL1RAB9AADORA3MAPT
SCHEMBL69609 0.78 NOTUM (0.39) NOTUML3MBTL1KDM4EADORA3MAPT
SCHEMBL2342193 0.77 KEAP1 (0.53) NOTUMNPC1MGLLADORA3MAPT
SCHEMBL16719635 0.77 MAOA (0.39) NOTUML3MBTL1KDM4EFLT3MAPT
SCHEMBL17710259 0.76 KCNH2 (0.43) RXRAGRIN1GRIN2B
SCHEMBL17710277 0.76 KCNH2 (0.41) NOTUMKMT2ARXRAGRIN1GRIN2B
SCHEMBL2753195 0.75 L3MBTL1 (0.36) L3MBTL1RXRAGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105980387-B Serine/threonine kinase inhibitor 阵列生物制药公司 2019-04-19 CN claimed
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP claimed
US-9670208-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-06 US claimed
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-20 US claimed
CN-103384668-A Novel compounds and compositions for inhibiting NAMPT FORMA THERAPEUTICS INC 2013-11-06 CN claimed
CN-109641890-B Isocitrate Dehydrogenase (IDH) inhibitors 浙江迈同生物医药有限公司 2022-04-26 CN disclosed
CN-105980387-B Serine/threonine kinase inhibitor 阵列生物制药公司 2019-04-19 CN disclosed
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP disclosed
US-9670208-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-06 US disclosed
EP-3089980-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-11-09 EP disclosed
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-20 US disclosed
CN-105980387-A Serine/threonine kinase inhibitors 阵列生物制药公司 2016-09-28 CN disclosed
CN-1370168-A Novel spiro compounds BANYU PHARMA CO LTD (JP) 2002-09-18 CN disclosed
EP-1204663-A1 NOVEL SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-15 EP disclosed
US-6388077-B1 CARDIOVASCULAR DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed
US-20020052371-A1 NOVEL SPIRO COMPOUNDS MSD K.K. (JP) 2002-05-02 US disclosed
US-6335345-B1 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; OBESITY AND BULIMIA TREATMENT; CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL, METABOLIC AND EATING DISORDERS; ANTIDIABETIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-01-01 US disclosed
US-6326375-B1 CONTAINING AN UREA GROUP BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-12-04 US disclosed
WO-2001014376-A1 NOVEL SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-03-01 WO disclosed
CN-1046275-C 2-methoxyiminophenyl-N-methylacetamide derivatives, process for their preparation, their use and compositions containing them BASF AG (DE) 1999-11-10 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-20020052371-A1 NOVEL SPIRO COMPOUNDS GPR119, NPY1R, OPRK1 NOTUM 3602/4885KMT2A 3160/4885L3MBTL1 3327/4885
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS TTBK1, MAP3K1, TNNI3K NOTUM 2289/4885KMT2A 2696/4885L3MBTL1 1749/4885

“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.