SCHEMBL17857041

SCHEMBL17857041

C=CC(=O)Nc1cccc(Nc2cc(N(C(=O)NCc3ccccc3)c3ccc(C(=O)N4CCN(C)CC4)cc3OC)ncn2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.63
EGFR P00533 4/20 0.51
FGFR1 P11362 4/20 0.51
SIK1 P57059 1/20 0.47
MELK Q14680 1/20 0.47
SIK2 Q9H0K1 1/20 0.47
SIK3 Q9Y2K2 1/20 0.47
JAK3 P52333 6/20 0.46
JAK2 O60674 2/20 0.46
FGFR3 P22607 3/20 0.45
FGFR4 P22455 2/20 0.45
FGFR2 P21802 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
JAK1 P23458 3/20 0.43
SRC P12931 1/20 0.42
BLK P51451 1/20 0.42
ITK Q08881 1/20 0.42
TYK2 P29597 1/20 0.42

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
SCHEMBL21081493 0.92 BTK (0.52) BTKEGFRFGFR1SIK1MELK
SCHEMBL17857040 0.89 BTK (0.69) BTKEGFRFGFR1JAK3JAK2
SCHEMBL17837353 0.81 BTK (0.72) BTKEGFRFGFR1SIK1MELK
SCHEMBL17857016 0.80 BTK (0.88) BTKEGFRFGFR1JAK3JAK2
SCHEMBL17837342 0.78 BTK (0.81) BTKEGFRFGFR1JAK3JAK2
SCHEMBL19441994 0.78 BTK (0.52) BTKEGFRFGFR1JAK3JAK2
SCHEMBL17857014 0.77 BTK (1.00) BTKEGFRFGFR1JAK3JAK2
SCHEMBL17856983 0.76 BTK (0.61) BTKEGFRFGFR1JAK3JAK2
SCHEMBL17857049 0.75 BTK (0.70) BTKEGFRFGFR1JAK3JAK2
SCHEMBL19440570 0.73 BTK (0.72) BTKEGFRFGFR1JAK3JAK2

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 4/4885EGFR 24/4885FGFR1 27/4885
US-20170369449-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC BTK 4/4885EGFR 24/4885FGFR1 27/4885
US-10906878-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC BTK 4/4885EGFR 24/4885FGFR1 27/4885
US-10316002-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC BTK 4/4885EGFR 24/4885FGFR1 27/4885
US-20160176825-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC BTK 4/4885EGFR 24/4885FGFR1 27/4885

“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.