SCHEMBL6127809

SCHEMBL6127809

Cc1ccc(C)c2[nH]ncc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
HTT P42858 2/20 0.45
PTK2 Q05397 1/20 0.45
ALDH1A1 P00352 3/20 0.39
BRAF P15056 1/20 0.38
EIF2AK3 Q9NZJ5 1/20 0.38
METAP2 P50579 3/20 0.36
CYP1A2 P05177 1/20 0.36
MAPK10 P53779 1/20 0.36
RIPK1 Q13546 1/20 0.36
IDO1 P14902 4/20 0.35
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DRD4 P21917 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
XDH P47989 1/20 0.33
NOS1 P29475 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33

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
SCHEMBL30860972 0.83 NOS1 (0.46) MAPTHTTPTK2ALDH1A1BRAF
SCHEMBL15717018 0.83 MAPT (0.52) MAPTHTTPTK2ALDH1A1METAP2
SCHEMBL31198773 0.83 NOS1 (0.46) MAPTHTTPTK2ALDH1A1BRAF
SCHEMBL5015989 0.83 MAPT (0.52) MAPTHTTPTK2ALDH1A1BRAF
SCHEMBL17697600 0.83 NOS1 (0.46) MAPTHTTPTK2ALDH1A1BRAF
SCHEMBL25469229 0.83 MAPT (0.43) MAPTHTTPTK2ALDH1A1BRAF
SCHEMBL13184306 0.83 NOS1 (0.46) MAPTHTTPTK2ALDH1A1BRAF
SCHEMBL15687490 0.83 NOS1 (0.46) MAPTHTTPTK2ALDH1A1BRAF
SCHEMBL3496477 0.83 NOS1 (0.46) MAPTHTTPTK2ALDH1A1BRAF
SCHEMBL16059776 0.83 NOS1 (0.46) MAPTHTTPTK2ALDH1A1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023015240-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS FOR USE AS HER2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-02-09 WO disclosed
US-9790178-B2 Pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-10-17 US disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
EP-2218716-B1 METHOD FOR AMPLIFYING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL IND LTD (JP) 2016-11-16 EP disclosed
US-20160297758-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-13 US disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8809318-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-08-19 US disclosed
US-20120135980-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-05-31 US disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 US disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 US disclosed
US-20120107328-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2012-05-03 US disclosed
US-20110306593-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
US-20110294784-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-01 US disclosed
WO-2010140685-A1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER 日産化学工業株式会社 (JP) 2010-12-09 WO disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 US disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 US disclosed
US-20090192154-A1 SULTAM DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2009-07-30 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-20120107328-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MAPT 325/4885HTT 1304/4885PTK2 2860/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 MAPT 322/4885HTT 33/4885PTK2 4385/4885
US-20110294784-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP MAPT 311/4885HTT 1437/4885PTK2 3465/4885
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND HCLS1, RUNX1, ACIN1 MAPT 399/4885HTT 12/4885PTK2 4483/4885
US-20120135980-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP MAPT 311/4885HTT 1437/4885PTK2 3465/4885
US-20110306593-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MAPT 198/4885HTT 406/4885PTK2 3342/4885
US-20160297758-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, UACA, TYMP MAPT 698/4885HTT 1398/4885PTK2 2690/4885
US-20090192154-A1 SULTAM DERIVATIVES SULT1A1, SULT2A1, ADAMTS1 MAPT 948/4885HTT 451/4885PTK2 2834/4885

“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.