SCHEMBL17187751

SCHEMBL17187751

Clc1cc(Nc2ccc(N3CCOCC3)cn2)c2ncnn2c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.59
CCNK O75909 1/20 0.47
CCND3 P30281 1/20 0.47
CDK9 P50750 1/20 0.47
CDK6 Q00534 1/20 0.47
SYK P43405 7/20 0.45
TYK2 P29597 6/20 0.42
JAK2 O60674 4/20 0.42
JAK1 P23458 3/20 0.42
JAK3 P52333 2/20 0.42
MAP4K4 O95819 1/20 0.40
KCNH2 Q12809 1/20 0.40
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39

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
SCHEMBL14916498 0.86 BTK (0.49) BTKCCNKCCND3CDK9CDK6
SCHEMBL17199626 0.85 BTK (0.51) BTKTYK2CDK4CCND1
SCHEMBL6912329 0.81 SYK (0.63) CCNKCCND3CDK9CDK6SYK
SCHEMBL20957612 0.79 BTK (0.69) BTKSYKCDK4CCND1
SCHEMBL17199546 0.79 BTK (0.64) BTKCCNKCCND3CDK9CDK6
Hydrochloric Acid SCHEMBL18761864 0.79 BTK (0.63) BTKCCNKCCND3CDK9CDK6
SCHEMBL24375263 0.76 BTK (0.53) BTK
SCHEMBL17187777 0.75 BTK (1.00) BTKJAK3
SCHEMBL18761801 0.75 BTK (0.65) BTKCCND3SYKTYK2JAK2
SCHEMBL18761793 0.75 BTK (0.55) BTKCCNKCCND3CDK9CDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135836-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC (US) 2019-05-09 US disclosed
US-20190135836-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC (US) 2019-05-09 US disclosed
US-10280184-B2 Heterocyclic kinase inhibitors ABBVIE INC. (US) 2019-05-07 US disclosed
US-10280184-B2 Heterocyclic kinase inhibitors ABBVIE INC. (US) 2019-05-07 US disclosed
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. 2017-04-27 US disclosed
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. 2017-04-27 US disclosed
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. 2017-04-27 US disclosed
EP-3131900-A1 HETEROCYCLIC KINASE INHIBITORS AbbVie Inc. (US) 2017-02-22 EP disclosed
WO-2015158283-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. (US) 2015-10-22 WO disclosed
WO-2015158283-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. (US) 2015-10-22 WO 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-10280184-B2 Heterocyclic kinase inhibitors MAP3K1, MAP3K20, MAP3K19 BTK 78/4885CCNK 258/4885CCND3 1052/4885
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K19 BTK 78/4885CCNK 258/4885CCND3 1052/4885
US-20190135836-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K19 BTK 81/4885CCNK 251/4885CCND3 1001/4885

“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.