SCHEMBL2826562

SCHEMBL2826562

CC(C)(C)c1cc(-c2ccccc2)[nH]n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
POLB P06746 2/20 0.55
HPGD P15428 2/20 0.54
TSHR P16473 1/20 0.54
HPGDS O60760 1/20 0.49
ALDH1A1 P00352 4/20 0.46
MITF O75030 1/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 1/20 0.44
RET P07949 1/20 0.43
KDR P35968 1/20 0.43
LMNA P02545 1/20 0.41
STAT1 P42224 1/20 0.41
P2RY1 P47900 1/20 0.40

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
SCHEMBL15033090 0.85 SMN1; SMN2 (0.59) RAB9APOLBHPGDTSHRALDH1A1
SCHEMBL10311382 0.83 MITF (0.45) HPGDTSHRALDH1A1MITFTP53
SCHEMBL22362238 0.83 RAB9A (0.63) RAB9APOLBHPGDTSHRHPGDS
SCHEMBL22820479 0.81 TNIK (0.50) HPGDTSHRALDH1A1MITFTP53
SCHEMBL22820480 0.81 TRPM8 (0.57) RAB9APOLBALDH1A1MITFTP53
SCHEMBL22327729 0.81 AXL (0.57) RAB9AHPGDTSHRALDH1A1MITF
SCHEMBL10022697 0.81 CYP3A4 (0.54) HPGDTSHRHPGDSALDH1A1RET
SCHEMBL22327927 0.81 MAPT (0.47) RAB9AHPGDTSHRHPGDSALDH1A1
SCHEMBL2226339 0.81 RAB9A (0.47) RAB9APOLBHPGDTSHRHPGDS
SCHEMBL14624000 0.81 RAB9A (0.55) RAB9APOLBHPGDHPGDSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200399248-A1 PYRIMIDINONE-CONTAINING COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF KUNMING INSTITUTE OF ZOOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2020-12-24 US disclosed
US-10800760-B2 Trk inhibition NANTBIO, INC. (US) 2020-10-13 US disclosed
US-10766879-B2 Pyrimidine derivatives as kinase inhibitors and their therapeutical applications NANTBIOSCIENCE, INC. (US) 2020-09-08 US disclosed
US-10738033-B2 Trk inhibition NANTBIO, INC. (US) 2020-08-11 US disclosed
US-20180215734-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. 2018-08-02 US disclosed
US-20180215734-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. 2018-08-02 US disclosed
US-20180155327-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. 2018-06-07 US disclosed
US-20180155327-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. 2018-06-07 US disclosed
US-9796713-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-24 US disclosed
US-9796713-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-24 US disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
EP-2253315-A1 Alkoxyphenylpropanoic acid derivatives Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
EP-1731505-A1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-12-13 EP disclosed
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 EP 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-20180215734-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS DCK, TK1, DTYMK RAB9A 3119/4885POLB 507/4885HPGD 1972/4885
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 RAB9A 3699/4885POLB 4302/4885HPGD 2178/4885
US-10800760-B2 Trk inhibition NTRK1, NTRK3, NTRK2 RAB9A 2980/4885POLB 3027/4885HPGD 2863/4885
US-10738033-B2 Trk inhibition NGF, NGFR, NTRK2 RAB9A 2881/4885POLB 1464/4885HPGD 2450/4885
US-20200399248-A1 PYRIMIDINONE-CONTAINING COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF TYMP, DPYD, DHPS RAB9A 2424/4885POLB 105/4885HPGD 257/4885
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives GPR119, FFAR1, GPR55 RAB9A 3353/4885POLB 4812/4885HPGD 2081/4885
US-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 RAB9A 2933/4885POLB 4711/4885HPGD 2123/4885
US-10766879-B2 Pyrimidine derivatives as kinase inhibitors and their therapeutical applications DCK, TK1, DTYMK RAB9A 2628/4885POLB 624/4885HPGD 1681/4885
US-20180155327-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS DCK, TK1, DTYMK RAB9A 2628/4885POLB 624/4885HPGD 1681/4885

“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.