SCHEMBL4243109

SCHEMBL4243109

Cc1ccc2c(n1)NC(C)C=C2

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.32
CCR1 P32246 1/20 0.31
RAB9A P51151 1/20 0.31
CCR5 P51681 1/20 0.31

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
SCHEMBL22824497 0.68 GRM5 (0.36)
SCHEMBL7914336 0.64 CCR1 (0.32) CCR1RAB9ACCR5
SCHEMBL22824562 0.63 ALDH1A1 (0.34)
SCHEMBL6489262 0.62
SCHEMBL7922389 0.60 HTR2A (0.40) CCR1RAB9ACCR5
SCHEMBL15307704 0.60 LMNA (0.44) CCR1CCR5
SCHEMBL19145636 0.60
SCHEMBL13662468 0.59 S100A4 (0.32) S100A4CCR1RAB9ACCR5
SCHEMBL20751640 0.58 S100A4 (0.31) S100A4CCR1RAB9ACCR5
SCHEMBL4253493 0.58 PDE10A (0.45) CCR1RAB9ACCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108690053-A Heteroaryl compound and its application method 桑诺维恩药品公司 2018-10-23 CN disclosed
EP-2925762-B1 TRIAZOLO-PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM SUNOVION PHARMACEUTICALS INC (US) 2017-07-05 EP disclosed
EP-2925762-B1 TRIAZOLO-PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM SUNOVION PHARMACEUTICALS INC (US) 2017-07-05 EP disclosed
US-9670230-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-06-06 US disclosed
CN-105051042-A Triazolo-pyrazine derivatives useful in the treatment of central nervous system disorders SUNOVION PHARMACEUTICALS INC 2015-11-11 CN disclosed
US-20150291626-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2015-10-15 US disclosed
EP-2925762-A1 TRIAZOLO-PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM Sunovion Pharmaceuticals Inc. (US) 2015-10-07 EP disclosed
WO-2014085284-A1 TRIAZOLO-PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM SUNOVION PHARMACEUTICALS INC. (US) 2014-06-05 WO disclosed
WO-2014085284-A1 TRIAZOLO-PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM SUNOVION PHARMACEUTICALS INC. (US) 2014-06-05 WO disclosed
EP-2049490-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL]-L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS Astra Zeneca AB (SE) 2009-04-22 EP disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 WO 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 (2 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-20150291626-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN S100A4 4547/4885CCR1 3722/4885RAB9A 957/4885
US-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B S100A4 256/4885CCR1 2135/4885RAB9A 2258/4885

“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.