SCHEMBL20937415

SCHEMBL20937415

C=CC(=O)N1CCC[C@@H](CCC)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.45
JAK2 O60674 3/20 0.45
JAK1 P23458 3/20 0.45
BTK Q06187 4/20 0.39
TYK2 P29597 1/20 0.39
PKM P14618 1/20 0.38
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TEAD1 P28347 1/20 0.37
TEAD3 Q99594 1/20 0.37
HSD11B1 P28845 1/20 0.37
GRM5 P41594 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
SCHEMBL21537267 1.00 JAK3 (0.45) JAK3JAK2JAK1BTKTYK2
SCHEMBL24541727 1.00 JAK3 (0.45) JAK3JAK2JAK1BTKTYK2
SCHEMBL29470029 0.95 JAK3 (0.42) JAK3JAK2JAK1BTKTYK2
SCHEMBL20892891 0.90 TEAD1 (0.45) JAK3JAK2JAK1BTKFGFR1
SCHEMBL25229791 0.88 TEAD1 (0.49) JAK3JAK2JAK1BTKTEAD1
SCHEMBL17915688 0.87 JAK3 (0.45) JAK3JAK2JAK1BTKTYK2
SCHEMBL19240547 0.87 JAK3 (0.45) JAK3JAK2JAK1BTKTYK2
SCHEMBL18431347 0.87 JAK3 (0.45) JAK3JAK2JAK1BTKTYK2
SCHEMBL25365294 0.83 JAK3 (0.38) JAK3JAK1MEN1POLBMAPT
SCHEMBL19240549 0.83 JAK3 (0.41) JAK3JAK2JAK1BTKTYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186574-B2 Inhibitors of EGFR and/or HER2 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-30 US disclosed
US-20200199121-A1 INHIBITORS OF EGFR AND/OR HER2 AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. 2020-06-25 US disclosed
US-10464949-B2 Thiazolyl-containing compounds for treating proliferative diseases DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-11-05 US disclosed
US-20190119301-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-25 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-20190119301-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES BTK, BCL9L, BCL9 JAK3 182/4885JAK2 8/4885JAK1 117/4885
US-11186574-B2 Inhibitors of EGFR and/or HER2 and methods of use EGFR, ERBB2, ERBB3 JAK3 594/4885JAK2 68/4885JAK1 423/4885
US-10464949-B2 Thiazolyl-containing compounds for treating proliferative diseases BTK, BCL9L, BCL9 JAK3 182/4885JAK2 8/4885JAK1 117/4885
US-20200199121-A1 INHIBITORS OF EGFR AND/OR HER2 AND METHODS OF USE EGFR, ERBB2, ERBB3 JAK3 594/4885JAK2 68/4885JAK1 423/4885

“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.