SCHEMBL15345150

SCHEMBL15345150

CCn1ncc2cc(-c3cc(C)ccn3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
CYP2A6 P11509 1/20 0.43
PIM1 P11309 1/20 0.40
TGFBR1 P36897 1/20 0.39
IRAK4 Q9NWZ3 4/20 0.38
NR3C1 P04150 1/20 0.37
METAP2 P50579 1/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
KMO O15229 1/20 0.35
SYK P43405 1/20 0.34
KHK P50053 1/20 0.34
MCHR1 Q99705 1/20 0.34
CACNA1H O95180 2/20 0.34
CYP11B2 P19099 1/20 0.34
HASPIN Q8TF76 1/20 0.34

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
SCHEMBL15345073 0.89 CYP2A6 (0.41) CCR1CCR5CCR8CYP2A6PIM1
SCHEMBL15341733 0.84 PIM1 (0.43) PIM1TGFBR1IRAK4HTR2AHTR2C
SCHEMBL15344156 0.81 CCR1 (0.47) CCR1CCR5CCR8CYP2A6TGFBR1
SCHEMBL21871423 0.81 TGFBR1 (0.38) TGFBR1NR3C1HTR2AHTR2CKMO
SCHEMBL7071662 0.80 KMO (0.45) CYP2A6NR3C1HTR2AHTR2CKMO
SCHEMBL29769123 0.80 KMO (0.45) CYP2A6NR3C1HTR2AHTR2CKMO
SCHEMBL15345074 0.79 MET (0.45) CCR1CCR5CCR8CYP2A6IRAK4
SCHEMBL21871411 0.78 TGFBR1 (0.36) TGFBR1NR3C1HTR2AHTR2CKMO
SCHEMBL15345153 0.78 CCR1 (0.43) CCR1CCR5CCR8CYP2A6TGFBR1
SCHEMBL15345145 0.77 CYP2A6 (0.42) CCR1CCR5CCR8CYP2A6IRAK4

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 4 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-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 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 (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-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

“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.