SCHEMBL11671

SCHEMBL11671

CC(C)(C)Nc1ccc2ccccc2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.67
ATM Q13315 1/20 0.50
MAPT P10636 1/20 0.49
CYP1A2 P05177 2/20 0.48
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
KDM4E B2RXH2 3/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CCR6 P51684 2/20 0.44
CXCR5 P32302 1/20 0.44
APLNR P35414 1/20 0.44
LRRK2 Q5S007 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL5506476 0.80 NCF1 (1.00) NCF1CYP1A2NPC1RAB9AKDM4E
Ammonia Solution, Strong SCHEMBL6619954 0.80 NCF1 (0.56) NCF1MAPTCYP1A2NPC1RAB9A
SCHEMBL12199211 0.80 NCF1 (0.56) NCF1MAPTCYP1A2NPC1RAB9A
Hydrochloric Acid SCHEMBL7399656 0.78 NCF1 (0.95) NCF1CYP1A2NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL15842393 0.78 NCF1 (0.95) NCF1CYP1A2NPC1RAB9AKDM4E
SCHEMBL10458402 0.78 NCF1 (0.71) NCF1CYP1A2NPC1RAB9AKDM4E
SCHEMBL30760998 0.78 NCF1 (0.71) NCF1CYP1A2NPC1RAB9AKDM4E
SCHEMBL29652203 0.76 NCF1 (0.57) NCF1MAPTCYP1A2NPC1RAB9A
SCHEMBL30223449 0.76 PDGFRB (0.55) ATMNPC1RAB9AKDM4EKMT2A
SCHEMBL18232974 0.76 PDGFRB (0.55) ATMNPC1RAB9AKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024125668-A1 HETEROCYCLIC SUBSTITUTED PENTA-SIX-MEMBERED HETEROARYL DERIVATIVE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION AND PREPARATION METHOD THEREFOR 上海海雁医药科技有限公司 2024-06-20 WO disclosed
US-11912714-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-27 US disclosed
US-20230151019-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-05-18 US disclosed
US-11339170-B1 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-10738035-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2020-08-11 US disclosed
US-10226535-B2 Auristatin compounds and conjugates thereof MERSANA THERAPEUTICS, INC. (US) 2019-03-12 US disclosed
US-9783500-B2 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2017-10-10 US disclosed
US-20160368877-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-22 US disclosed
US-20160332996-A1 Hepatitis B Antiviral Agents ENANTA PHARMACEUTICALS, INC. 2016-11-17 US disclosed
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-8481495-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-07-09 US disclosed
US-8481495-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-07-09 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
US-20120094917-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP (US) 2012-04-19 US disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 WO disclosed
US-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-17 US disclosed
US-7846931-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 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 (11 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-20230151019-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 NCF1 2242/4885ATM 3863/4885MAPT 4226/4885
US-10226535-B2 Auristatin compounds and conjugates thereof PBRM1, AURKB, ILK NCF1 3680/4885ATM 1666/4885MAPT 1644/4885
US-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 NCF1 1330/4885ATM 2077/4885MAPT 2432/4885
US-10738035-B2 Hepatitis B antiviral agents ZC3HAV1, ZC3HAV1L, HAVCR2 NCF1 1091/4885ATM 4841/4885MAPT 4734/4885
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP NCF1 3978/4885ATM 3295/4885MAPT 809/4885
US-20160368877-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NOS2, NOS3, NOS1 NCF1 633/4885ATM 2900/4885MAPT 882/4885
US-11339170-B1 Spiropyrrolidine derived antiviral agents ACE, ACE2, PKD1 NCF1 2425/4885ATM 3836/4885MAPT 3807/4885
US-11912714-B2 Spiropyrrolidine derived antiviral agents ACE, ACE2, PKD1 NCF1 2425/4885ATM 3836/4885MAPT 3807/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 NCF1 1330/4885ATM 2077/4885MAPT 2432/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 NCF1 1474/4885ATM 3400/4885MAPT 375/4885
US-20160332996-A1 Hepatitis B Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 NCF1 1091/4885ATM 4841/4885MAPT 4734/4885

“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.