SCHEMBL17857034

SCHEMBL17857034

C=CC(=O)N1CCc2ccc(N(C(=O)NCc3ccccc3)c3cc(Nc4ccc(N5CCN(C)CC5)cc4OC)ncn3)cc21

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.58
FGFR1 P11362 3/20 0.46
EGFR P00533 8/20 0.44
JAK3 P52333 7/20 0.43
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
CTSC P53634 2/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TTK P33981 1/20 0.41
FLT3 P36888 1/20 0.41
TXK P42681 1/20 0.41
BLK P51451 1/20 0.41
ITK Q08881 1/20 0.41

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
SCHEMBL17857038 0.89 BTK (0.54) BTKFGFR1EGFRJAK3CTSC
SCHEMBL17857036 0.85 BTK (0.66) BTKFGFR1EGFRJAK3FGFR4
SCHEMBL17857039 0.85 BTK (0.65) BTKFGFR1EGFRJAK3FGFR2
SCHEMBL17837342 0.85 BTK (0.81) BTKFGFR1EGFRJAK3CTSC
SCHEMBL17837360 0.84 BTK (0.61) BTKFGFR1EGFRJAK3FGFR3
SCHEMBL21081534 0.82 BTK (0.65) BTKFGFR1EGFRJAK3FGFR3
SCHEMBL17857109 0.81 BTK (0.58) BTKFGFR1EGFRJAK3FGFR3
SCHEMBL17857021 0.81 BTK (0.66) BTKEGFRJAK3FGFR3CTSC
SCHEMBL17857022 0.80 BTK (0.65) BTKEGFRJAK3FGFR3JAK2
SCHEMBL19440570 0.80 BTK (0.72) BTKFGFR1EGFRJAK3CTSC

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

“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.