SCHEMBL2552762

SCHEMBL2552762

NCC(Cc1ccccc1)NC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 3/20 0.50
MME P08473 2/20 0.50
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
CTSC P53634 2/20 0.47
EPHX1 P07099 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL3730596 1.00 CTRB1 (0.50) CTRB1MMECYP3A4MAPK1NPC1
SCHEMBL14320632 1.00 CTRB1 (0.50) CTRB1MMECYP3A4MAPK1NPC1
Hydrochloric Acid SCHEMBL9732826 0.98 MME (0.49) CTRB1MMECYP3A4MAPK1NPC1
SCHEMBL5568036 0.86 CTRB1 (0.57) CTRB1CYP3A4MAPK1NPC1RAB9A
SCHEMBL12294556 0.86 CTRB1 (0.57) CTRB1CYP3A4MAPK1NPC1RAB9A
SCHEMBL20791696 0.86 OPRK1 (0.55) SLC7A5
SCHEMBL20791698 0.86 OPRK1 (0.55) SLC7A5
SCHEMBL18577288 0.84 MME (0.49) MMECYP3A4CTSCCYP1A2
SCHEMBL18577290 0.84 MME (0.49) MMECYP3A4CTSCCYP1A2
SCHEMBL3897966 0.83 MAPK1 (0.68) CTRB1MMECYP3A4MAPK1NPC1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed
US-11618753-B2 Aminopyrrolotriazines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-04-04 US disclosed
US-20220401401-A1 CARBAMOYL PHENYLALANINOL ANALOGS AND USES THEREOF HERCULES CAPITAL, INC. 2022-12-22 US disclosed
US-20210093603-A1 CARBAMOYL PHENYLALANINOL ANALOGS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-04-01 US disclosed
EP-3743430-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2020-12-02 EP disclosed
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 US disclosed
WO-2019147782-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-01 WO disclosed
CN-105102456-B Azaquinazoline inhibitors of atypical protein kinase C 癌症研究技术有限公司 2017-11-14 CN disclosed
US-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-13 US disclosed
EP-3160477-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-05-03 EP disclosed
WO-2015200680-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-30 WO disclosed
CN-105102456-A Azaquinazoline inhibitors of atypical protein kinase C IGNYTA INC 2015-11-25 CN disclosed
EP-2555623-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2013-02-13 EP disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 WO disclosed
US-5173510-A Anticholesterol agents AMERICAN CYANAMID COMPANY (US) 1992-12-22 US disclosed
US-5053426-A Enzyme inhibitors AMERICAN CYANAMID COMPANY (US) 1991-10-01 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 (6 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-20130029980-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS CTRB1 1419/4885MME 3708/4885CYP3A4 547/4885
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 CTRB1 4097/4885MME 4505/4885CYP3A4 3862/4885
US-20210093603-A1 CARBAMOYL PHENYLALANINOL ANALOGS AND USES THEREOF DNPEP, CPS1, GLS CTRB1 139/4885MME 344/4885CYP3A4 1670/4885
US-20220401401-A1 CARBAMOYL PHENYLALANINOL ANALOGS AND USES THEREOF DNPEP, CPS1, GLS CTRB1 139/4885MME 344/4885CYP3A4 1670/4885
US-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 CTRB1 4552/4885MME 3970/4885CYP3A4 2610/4885
US-11618753-B2 Aminopyrrolotriazines as kinase inhibitors RIPK1, RIPK2, RIPK4 CTRB1 4097/4885MME 4505/4885CYP3A4 3862/4885

“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.