SCHEMBL16690807

SCHEMBL16690807

CC(=O)c1ccnc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.49
SMARCA4 P51532 1/20 0.49
SYK P43405 3/20 0.48
VNN1 O95497 1/20 0.46
LOXL2 Q9Y4K0 2/20 0.44
DDR1 Q08345 1/20 0.43
LOX P28300 1/20 0.43
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL30016958 1.00 SMARCA2 (0.49) SMARCA2SMARCA4SYKVNN1LOXL2
SCHEMBL15003950 0.86 SYK (0.40) SMARCA2SMARCA4SYKVNN1LMNA
SCHEMBL28019417 0.85 VNN1 (0.58) SMARCA2SMARCA4VNN1LOXL2DDR1
SCHEMBL503171 0.83 KDM5C (0.55) SMARCA2SMARCA4SYKVNN1LOXL2
SCHEMBL31085231 0.83 LMNA (0.58) SYKLMNANPC1RAB9ASMN1; SMN2
SCHEMBL10202654 0.83 LMNA (0.58) SYKLMNANPC1RAB9ASMN1; SMN2
SCHEMBL29427285 0.83 KDM5C (0.55) SMARCA2SMARCA4SYKVNN1LOXL2
SCHEMBL25221330 0.81 VNN1 (0.46) SMARCA2SMARCA4VNN1LOXL2DDR1
SCHEMBL29427234 0.81 LOXL2 (0.49) SMARCA2SMARCA4SYKVNN1LOXL2
SCHEMBL9444888 0.81 LMNA (0.45) SYKLMNANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP disclosed
US-20240124446-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. 2024-04-18 US disclosed
US-11718617-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells2 agonists and methods of use AMGEN INC. (US) 2023-08-08 US disclosed
WO-2023019912-A9 BENZOTRIAZINE DIOXIDE AND PHARMACEUTICAL COMPOSITION THEREOF 杭州瑞臻医药有限公司 2023-06-01 WO disclosed
US-20230144581-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. 2023-05-11 US disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed
WO-2023019912-A1 BENZOTRIAZINE DIOXIDE AND PHARMACEUTICAL COMPOSITION THEREOF 杭州瑞臻医药有限公司 2023-02-23 WO disclosed
EP-3922630-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER Capella Therapeutics, Inc. (US) 2021-12-15 EP disclosed
EP-3390404-B1 TRICYCLIC COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS NOVARTIS AG (CH) 2021-07-21 EP disclosed
US-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-02-08 US disclosed
US-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-02-08 US disclosed
US-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-02-08 US disclosed
WO-2017053537-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CAPELLA THERAPEUTICS, INC. (US) 2017-03-30 WO disclosed
US-20160287607-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-10-06 US disclosed
WO-2016130396-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-08-18 WO disclosed
WO-2016130396-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-08-18 WO disclosed
US-9333202-B2 Non-retinoid antagonists for treatment of age-related macular degeneration and stargardt disease THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-05-10 US disclosed
US-20150126494-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-05-07 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-20150126494-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE RBP4, RBP1, LRAT SMARCA2 1142/4885SMARCA4 635/4885SYK 4815/4885
US-20160287607-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE RBP4, RBP1, LRAT SMARCA2 1142/4885SMARCA4 635/4885SYK 4815/4885
US-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TPMT, TET1, DNMT1 SMARCA2 446/4885SMARCA4 436/4885SYK 2700/4885
US-20240124446-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE MSR1, FPR2, CD14 SMARCA2 4012/4885SMARCA4 4461/4885SYK 230/4885
US-11718617-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells2 agonists and methods of use MSR1, FPR2, CD14 SMARCA2 3737/4885SMARCA4 4382/4885SYK 246/4885
US-20230144581-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS2 AGONISTS AND METHODS OF USE MSR1, FPR2, CD14 SMARCA2 3737/4885SMARCA4 4382/4885SYK 246/4885

“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.