SCHEMBL15344110

SCHEMBL15344110

Cc1ccnc(-c2cnc(C3CCC3)nc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.48
CCR5 P51681 1/20 0.48
CCR8 P51685 1/20 0.48
CYP2A6 P11509 1/20 0.47
METAP2 P50579 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ABL1 P00519 3/20 0.37
BCR P11274 3/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
UHRF1 Q96T88 1/20 0.36
SYK P43405 1/20 0.35
MAP3K12 Q12852 5/20 0.34
MEN1 O00255 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
KMT2A Q03164 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
SCHEMBL15340915 0.81 PIM1 (0.35) MAP3K12
SCHEMBL17818434 0.75 CCR1 (0.48) CCR1CCR5CCR8CYP2A6KDM4E
SCHEMBL13805980 0.74 CCR1 (0.50) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL12457538 0.73 MAPK1 (0.37) CCR1CCR5CCR8L3MBTL1AOC3
SCHEMBL17443577 0.73 CCR1 (0.59) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL15344159 0.73 CCR1 (0.59) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL16526763 0.72 TGFBR1 (0.48) METAP2ALDH1A1ABL1PIK3C3
SCHEMBL31695263 0.71 CCR1 (0.76) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL27344644 0.71 CCR1 (0.76) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL13271138 0.71 KDM4E (0.50) 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.