SCHEMBL15053684

SCHEMBL15053684

CC(c1ccc(Cl)cc1Cl)n1ncc2ccc(N3CCNCC3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.48
CCR4 P51679 6/20 0.42
ADRB1 P08588 3/20 0.41
HTR3E A5X5Y0 4/20 0.41
HTR3B O95264 4/20 0.41
HTR3A P46098 4/20 0.41
HTR3D Q70Z44 4/20 0.41
HTR3C Q8WXA8 4/20 0.41
SIGMAR1 Q99720 3/20 0.41
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL15053683 1.00 SOS1 (0.48) SOS1CCR4ADRB1HTR3EHTR3B
SCHEMBL14995051 0.87 CCR4 (0.42) CCR4
SCHEMBL20130985 0.87 CCR4 (0.42) CCR4
SCHEMBL14995052 0.87 CCR4 (0.42) CCR4
SCHEMBL15053400 0.86 SOS1 (0.41) SOS1CCR4KMO
SCHEMBL14994962 0.86 SOS1 (0.41) SOS1CCR4KMO
SCHEMBL27978185 0.86 SOS1 (0.41) SOS1CCR4KMO
SCHEMBL19373594 0.85 KMO (0.40) SOS1CCR4KMO
SCHEMBL15692597 0.84 CCR4 (0.42) SOS1CCR4KMO
SCHEMBL27978187 0.84 CCR4 (0.39) SOS1CCR4KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647696-B2 Substituted benzimidazoles and benzopyrazoles as CCR(4) antagonists CHEMOCENTRYX, INC. (US) 2020-05-12 US disclosed
US-20180127395-A1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS CHEMOCENTRYX, INC. 2018-05-10 US disclosed
US-9790204-B2 Substituted benzimidazoles and benzopyrazoles as CCR(4) antagonists CHEMOCENTRYX, INC. (US) 2017-10-17 US disclosed
EP-2785710-B1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS CHEMOCENTRYX INC (US) 2017-09-20 EP disclosed
US-20160185756-A1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS CHEMOCENTRYX, INC. 2016-06-30 US disclosed
US-9150550-B2 Substituted benzimidazoles and benzopyrazoles as CCR(4) antagonists CHEMOCENTRYX, INC. (US) 2015-10-06 US disclosed
CN-103974950-A Substituted benzimidazoles and benzopyrazoles as CCR(4) antagonists CHEMOCENTRYX INC 2014-08-06 CN disclosed
US-20140121195-A1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS CHEMOCENTRYX, INC. (US) 2014-05-01 US disclosed
US-20130165423-A1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS CHEMOCENTRYX, INC. (US) 2013-06-27 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 (5 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-20130165423-A1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS CCR4, CCR1, CCR3 SOS1 4244/4885CCR4 1/4885ADRB1 439/4885
US-20180127395-A1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS CCR4, CCR1, CCR3 SOS1 4244/4885CCR4 1/4885ADRB1 439/4885
US-20160185756-A1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS CCR4, CCR1, CCR3 SOS1 4244/4885CCR4 1/4885ADRB1 439/4885
US-20140121195-A1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS CCR4, CCR1, CCR3 SOS1 4244/4885CCR4 1/4885ADRB1 439/4885
US-10647696-B2 Substituted benzimidazoles and benzopyrazoles as CCR(4) antagonists CCR4, CCR1, CCR3 SOS1 4244/4885CCR4 1/4885ADRB1 439/4885

“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.