SCHEMBL15344113

SCHEMBL15344113

Cc1ccnc(-c2cnc(N3CCN(C)CC3)nc2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.52
CCR5 P51681 1/20 0.52
CCR8 P51685 1/20 0.52
HRH4 Q9H3N8 4/20 0.48
CYP2A6 P11509 1/20 0.46
TNKS O95271 2/20 0.45
HTR3A P46098 2/20 0.43
METAP2 P50579 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACVR1B P36896 1/20 0.41
TGFBR1 P36897 1/20 0.41

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
SCHEMBL15344111 0.84 PIK3CA (0.53) CCR1CCR5CCR8CYP2A6
SCHEMBL15340908 0.83 HRH4 (0.44) HRH4TNKSHTR3AALDH1A1CYP1A2
SCHEMBL15344115 0.82 ACVR1B (0.57) CCR1CCR5CCR8CYP2A6TNKS
SCHEMBL81909 0.76 HRH4 (0.51) HRH4TNKSHTR3AALDH1A1CYP1A2
SCHEMBL25138076 0.74 HTR3A (0.48) HRH4TNKSHTR3AALDH1A1CYP1A2
SCHEMBL10196855 0.74 HRH4 (0.61) CCR1CCR5CCR8HRH4HTR3A
SCHEMBL2385040 0.73 HRH4 (0.66) CCR1CCR5CCR8HRH4ALDH1A1
SCHEMBL2385008 0.73 HRH4 (0.66) HRH4ALDH1A1CYP1A2ALOX15HSD17B10
SCHEMBL2385751 0.72 HRH4 (0.61) CCR1CCR5CCR8HRH4CYP2A6
SCHEMBL29397106 0.72 CCR1 (1.00) CCR1CCR5CCR8CYP2A6METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
US-20160152582-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-06-02 US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-9096586-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-08-04 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 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 (4 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-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 CCR1 886/4885CCR5 225/4885CCR8 1540/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CCR1 106/4885CCR5 3/4885CCR8 125/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CCR1 106/4885CCR5 3/4885CCR8 125/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 CCR1 886/4885CCR5 225/4885CCR8 1540/4885

“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.