SCHEMBL7530713

SCHEMBL7530713

[CH2]C(NC(C)=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.47
MTNR1B P49286 7/20 0.47
SRC P12931 1/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
NAPRT Q6XQN6 1/20 0.43
CTRB1 P17538 2/20 0.43
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42

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
SCHEMBL1193274 1.00 MTNR1A (0.47) MTNR1AMTNR1BSRCHPGDPOLB
SCHEMBL1192949 1.00 MTNR1A (0.47) MTNR1AMTNR1BSRCHPGDPOLB
SCHEMBL7702812 0.84 ACACB (0.64) MTNR1AMTNR1BACACBACACA
SCHEMBL21268607 0.83 CYP2D6 (0.44) SRCHPGDPOLBKMT2A
SCHEMBL3735283 0.80 CYP1A2 (0.63) MTNR1AMTNR1BSRCPOLBHSD17B10
SCHEMBL7738585 0.80 POLB (0.49) POLBCYP1A2KDM4EALDH1A1KMT2A
SCHEMBL7962640 0.80 KMT2A (0.50) HPGDHSD17B10CYP2C19ALDH1A1KMT2A
SCHEMBL7918332 0.79 LMNA (0.53) SRCCYP1A2ALDH1A1
SCHEMBL425361 0.78 ALDH1A1 (0.58) MTNR1AMTNR1BSRCHPGDPOLB
SCHEMBL27608857 0.78 LMNA (0.58) HPGDHSD17B10KDM4EALDH1A1CTRB1

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 54 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
EP-3089980-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-11-09 EP claimed
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-20 US claimed
CN-105980387-A Serine/threonine kinase inhibitors 阵列生物制药公司 2016-09-28 CN claimed
WO-2015103137-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2015-07-09 WO claimed
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
WO-1997011945-A1 DIAZABICYCLOOCTANE DERIVATIVES HAVING SELECTIVE 5-HT1DALPHA ANTAGONIST ACTIVITY MERCK SHARP & DOHME LIMITED (GB) 1997-04-03 WO disclosed
WO-1997011949-A1 DIAZABICYCLOOCTANE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-04-03 WO disclosed
EP-0759918-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS MERCK SHARP & DOHME LTD. (GB) 1997-03-05 EP disclosed
WO-1996016056-A1 PIPERAZINE, PIPERIDINE & TETRAHYDROPYRIDINE DERIVATIVES USEFUL AS 5-HT1 RECEPTOR AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1996-05-30 WO disclosed
WO-1996004269-A1 INDOLINE AND AZAINDOLINE DERIVATIVES AS 5-HT1D ALPHA RECEPTOR AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1996-02-15 WO disclosed
WO-1995032196-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-11-30 WO disclosed
US-4110355-A COLOR COUPLERS POLAROID CORPORATION (US) 1978-08-29 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 (1 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-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS TTBK1, MAP3K1, TNNI3K MTNR1A 1778/4885MTNR1B 2014/4885SRC 183/4885

“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.