SCHEMBL17857022

SCHEMBL17857022

COc1cc(N2CCN(C)CC2)ccc1Nc1cc(N(C(=O)NCc2ccccc2)c2cccc(NC(=O)CCl)c2)ncn1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.65
JAK3 P52333 7/20 0.51
EGFR P00533 11/20 0.50
NUAK1 O60285 1/20 0.48
NUAK2 Q9H093 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
FGFR3 P22607 1/20 0.48
CYP2C19 P33261 1/20 0.48
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TTK P33981 1/20 0.47
FLT3 P36888 1/20 0.47
TXK P42681 1/20 0.47
BLK P51451 1/20 0.47
ITK Q08881 1/20 0.47

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
SCHEMBL17857021 0.94 BTK (0.66) BTKJAK3EGFRNUAK1NUAK2
SCHEMBL17837342 0.90 BTK (0.81) BTKJAK3EGFRJAK2JAK1
SCHEMBL17837360 0.89 BTK (0.61) BTKJAK3EGFRCYP3A4CYP2C9
SCHEMBL21081534 0.87 BTK (0.65) BTKJAK3EGFRCYP3A4CYP2C9
SCHEMBL17857109 0.85 BTK (0.58) BTKJAK3EGFRCYP3A4CYP2C9
SCHEMBL17857017 0.85 BTK (0.70) BTKJAK3EGFRJAK2JAK1
SCHEMBL19440570 0.85 BTK (0.72) BTKJAK3EGFRJAK2JAK1
SCHEMBL19440569 0.85 BTK (0.72) BTKJAK3EGFRJAK2JAK1
SCHEMBL17857026 0.85 BTK (0.72) BTKJAK3EGFRJAK2JAK1
SCHEMBL17857027 0.84 BTK (0.71) BTKJAK3EGFRJAK2JAK1

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 18/4885EGFR 24/4885
US-20170369449-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC BTK 4/4885JAK3 18/4885EGFR 24/4885
US-10906878-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC BTK 4/4885JAK3 18/4885EGFR 24/4885
US-10316002-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC BTK 4/4885JAK3 18/4885EGFR 24/4885
US-20160176825-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC BTK 4/4885JAK3 18/4885EGFR 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.