SCHEMBL17856997

SCHEMBL17856997

C=CC(=O)Nc1cccc(N(C(=O)Nc2ccccc2)c2cc(Nc3ccc(N4CCN(C)CC4)cc3)ncn2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 1.00
JAK3 P52333 7/20 0.63
JAK2 O60674 5/20 0.63
JAK1 P23458 5/20 0.59
EGFR P00533 4/20 0.56
FGFR3 P22607 2/20 0.56
FGFR1 P11362 1/20 0.56
FGFR2 P21802 1/20 0.56
FGFR4 P22455 1/20 0.56
LCK P06239 4/20 0.55
CTSC P53634 1/20 0.53
SIK1 P57059 1/20 0.53
MELK Q14680 1/20 0.53
SIK2 Q9H0K1 1/20 0.53
SIK3 Q9Y2K2 1/20 0.53
SRC P12931 1/20 0.51
TEC P42680 1/20 0.51
SLK Q9H2G2 1/20 0.51
BLK P51451 1/20 0.50
BMX P51813 1/20 0.50

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
SCHEMBL17857000 0.93 BTK (0.87) BTKJAK3JAK2JAK1EGFR
SCHEMBL17857014 0.91 BTK (1.00) BTKJAK3JAK2JAK1EGFR
SCHEMBL17837341 0.88 BTK (0.79) BTKJAK3JAK2JAK1EGFR
SCHEMBL17857016 0.84 BTK (0.88) BTKJAK3JAK2JAK1EGFR
SCHEMBL17837353 0.84 BTK (0.72) BTKJAK3JAK2JAK1EGFR
SCHEMBL19440565 0.82 BTK (0.68) BTKJAK3JAK2EGFRFGFR1
SCHEMBL17857001 0.81 BTK (0.68) BTKJAK3EGFRFGFR4SRC
SCHEMBL17856985 0.81 BTK (0.68) BTKJAK3JAK2JAK1EGFR
SCHEMBL17857009 0.81 BTK (0.67) BTKJAK3JAK2JAK1EGFR
SCHEMBL17837342 0.81 BTK (0.81) BTKJAK3JAK2JAK1EGFR

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-10906878-B2 Kinase inhibitors for the treatment of disease DANA FARBER CANCER INSTITUTE, INC. (US) 2021-02-02 US disclosed
US-20190256475-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE DANA-FARBER CANCER INSTITUTE, INC. 2019-08-22 US disclosed
US-10316002-B2 Kinase inhibitors for the treatment of disease DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-06-11 US disclosed
US-20170369449-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE DANA-FARBER CANCER INSTITUTE, INC. 2017-12-28 US disclosed
US-9783504-B2 Kinase inhibitors for the treatment of disease DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-10-10 US disclosed
US-9783504-B2 Kinase inhibitors for the treatment of disease DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-10-10 US disclosed
US-20160176825-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-23 US disclosed
US-20160176825-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-23 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 (5 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-20190256475-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC BTK 4/4885JAK3 18/4885JAK2 8/4885
US-20170369449-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC BTK 4/4885JAK3 18/4885JAK2 8/4885
US-10906878-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC BTK 4/4885JAK3 18/4885JAK2 8/4885
US-10316002-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC BTK 4/4885JAK3 18/4885JAK2 8/4885
US-20160176825-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC BTK 4/4885JAK3 18/4885JAK2 8/4885

“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.