SCHEMBL18179845

SCHEMBL18179845

Cc1ccnc2c(C)cncc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.58
CCR8 P51685 5/20 0.58
CCR5 P51681 4/20 0.58
CCNC P24863 3/20 0.46
CDK8 P49336 3/20 0.46
PSMD14 O00487 2/20 0.46
COPS5 Q92905 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
HTT P42858 2/20 0.37
SLC6A2 P23975 1/20 0.37
CYP17A1 P05093 2/20 0.36
CYP1A2 P05177 2/20 0.36
NOS3 P29474 2/20 0.35
NOS2 P35228 2/20 0.35

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
SCHEMBL20887569 0.82 CCNC (0.43) CCR1CCR8CCR5CCNCCDK8
SCHEMBL21064345 0.82 CCR1 (0.52) CCR1CCR8CCR5CCNCCDK8
SCHEMBL24009013 0.79 CCR1 (0.48) CCR1CCR8CCR5CCNCCDK8
SCHEMBL25825506 0.75 CCNC (0.39) CCR1CCR8CCR5CCNCCDK8
SCHEMBL182930 0.74 CCR1 (1.00) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL29563986 0.74 CCR1 (1.00) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL23777914 0.72 CCR1 (0.95) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL31493927 0.72 CCR1 (0.95) CCR1CCR8CCR5PSMD14COPS5
Water SCHEMBL23927104 0.72 CCR1 (0.95) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL4890980 0.72 CCR1 (0.95) CCR1CCR8CCR5PSMD14COPS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11737351-B2 Organic semiconductor material and organic photoelectric device using the same Raynergy Tek Incorporation (TW) 2023-08-22 US disclosed
US-11299581-B2 Conjugated polymer and application thereof RAYNERGY TEK INC. (TW) 2022-04-12 US disclosed
WO-2021254493-A1 CYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF 上海翊石医药科技有限公司 2021-12-23 WO disclosed
US-20210230130-A1 NON-FULLERENE ACCEPTOR COMPOUND CONTAINING BENZOSELENADIAZOLE AND ORGANIC OPTOELECTRONIC DEVICE INCLUDING THE SAME Raynergy Tek Incorporation (TW) 2021-07-29 US disclosed
US-20210171705-A1 CONJUGATED POLYMER MATERIAL AND ORGANIC PHOTOVOLTAIC DEVICE USING THE SAME Raynergy Tek Incorporation (TW) 2021-06-10 US disclosed
US-20200140605-A1 CONJUGATED POLYMER AND APPLICATION THEREOF RAYNERGY TEK INC. (TW) 2020-05-07 US disclosed
US-20160351817-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-01 US disclosed
US-20160311871-A1 RESISTANT MUTANT 90 kDA HEAT SHOCK PROTEIN TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-10-27 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 (3 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-20160311871-A1 RESISTANT MUTANT 90 kDA HEAT SHOCK PROTEIN HSP90AB1, HSP90AA1, HSP90AB2P CCR1 4072/4885CCR8 3795/4885CCR5 4443/4885
US-11737351-B2 Organic semiconductor material and organic photoelectric device using the same PPOX, GJA1, GJB2 CCR1 2822/4885CCR8 3889/4885CCR5 3558/4885
US-20210230130-A1 NON-FULLERENE ACCEPTOR COMPOUND CONTAINING BENZOSELENADIAZOLE AND ORGANIC OPTOELECTRONIC DEVICE INCLUDING THE SAME PPOX, SQOR, RPS24 CCR1 4582/4885CCR8 3705/4885CCR5 4475/4885

“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.