SCHEMBL17199546

SCHEMBL17199546

NC1CCC(c2cc(Nc3ccc(N4CCOCC4)cn3)c3ncnn3c2)C1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.64
SYK P43405 1/20 0.40
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
CDK4 P11802 2/20 0.38
CCND1 P24385 2/20 0.38
IKBKE Q14164 2/20 0.37
TBK1 Q9UHD2 2/20 0.37
CCNK O75909 1/20 0.37
CCND3 P30281 1/20 0.37
CDK9 P50750 1/20 0.37
CDK6 Q00534 1/20 0.37

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
Hydrochloric Acid SCHEMBL18761864 0.99 BTK (0.63) BTKSYKJAK2JAK1TYK2
SCHEMBL18761801 0.85 BTK (0.65) BTKSYKJAK2JAK1TYK2
SCHEMBL20957612 0.84 BTK (0.69) BTKSYKCDK4CCND1
SCHEMBL17199623 0.82 BTK (0.70) BTKJAK2JAK1JAK3
SCHEMBL20990507 0.82 BTK (0.66) BTKSYKJAK2JAK1TYK2
SCHEMBL17199622 0.82 BTK (0.70) BTKJAK2JAK1JAK3
SCHEMBL17187749 0.82 BTK (0.70) BTKJAK2JAK1JAK3
SCHEMBL18781581 0.82 BTK (0.70) BTKJAK2JAK1JAK3
SCHEMBL17199548 0.81 BTK (0.60) BTKSYKJAK2JAK1TYK2
SCHEMBL17187751 0.79 BTK (0.59) BTKSYKJAK2JAK1TYK2

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 5 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-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
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 78/4885SYK 482/4885JAK2 41/4885
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K19 BTK 78/4885SYK 482/4885JAK2 41/4885
US-20190135836-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K19 BTK 81/4885SYK 486/4885JAK2 42/4885

“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.