SCHEMBL15345166

SCHEMBL15345166

Cc1ccnc(-c2cnc3[nH]cc(C)c3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.48
BTK Q06187 7/20 0.47
ITK Q08881 7/20 0.47
CCNT1 O60563 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CDK9 P50750 1/20 0.46
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
CYP2A6 P11509 1/20 0.45
AXL P30530 1/20 0.44
MAP3K12 Q12852 7/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44

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
SCHEMBL20132603 0.83 MET (0.44) METBTKITKCCNT1CCNA2
SCHEMBL19937778 0.77 BTK (0.47) METBTKITKAXLMAP3K12
SCHEMBL13560244 0.73 KIT (0.59) BTKITKCCNT1CCNA2CDK2
SCHEMBL7921128 0.73 MET (0.46) METBTKITKAXLMAP3K12
SCHEMBL27842922 0.72 CCR1 (0.61) CCR1CCR5CCR8CYP2A6
SCHEMBL15344950 0.72 BRD4 (0.49) CCNT1CCNA2CDK2CDK9CCR1
SCHEMBL9967201 0.71 CCNT1 (0.47) CCNT1CCNA2CDK2CDK9CCR1
SCHEMBL15345021 0.71 CCR1 (0.46) CCR1CCR5CCR8CYP2A6
SCHEMBL18471246 0.70 CCR1 (0.64) CCR1CCR5CCR8CYP2A6
SCHEMBL19937589 0.70 MAP3K12 (0.56) METMAP3K12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MET 3530/4885BTK 1148/4885ITK 3422/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 MET 3530/4885BTK 1148/4885ITK 3422/4885

“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.