SCHEMBL17857113

SCHEMBL17857113

C=CC(=O)Nc1cccc(N(C(=O)OCc2ccccc2)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3OC)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.67
JAK3 P52333 10/20 0.66
EGFR P00533 8/20 0.64
JAK2 O60674 1/20 0.60
JAK1 P23458 1/20 0.60
TTK P33981 1/20 0.60
FLT3 P36888 1/20 0.60
TXK P42681 1/20 0.60
BLK P51451 1/20 0.60
ITK Q08881 1/20 0.60

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
SCHEMBL17856988 0.90 EGFR (0.66) BTKJAK3EGFRJAK2JAK1
SCHEMBL16371894 0.90 EGFR (0.71) BTKJAK3EGFRJAK2JAK1
SCHEMBL17856994 0.88 BTK (0.64) BTKJAK3EGFRJAK2JAK1
SCHEMBL17857114 0.85 EGFR (0.52) BTKJAK3EGFR
SCHEMBL17857071 0.84 EGFR (0.66) BTKJAK3EGFR
SCHEMBL17857072 0.81 BTK (1.00) BTKJAK3EGFRJAK2JAK1
SCHEMBL19441915 0.80 EGFR (0.51) JAK3EGFR
SCHEMBL17209827 0.80 JAK3 (1.00) BTKJAK3EGFRJAK2JAK1
SCHEMBL18411389 0.79 BTK (0.77) BTKJAK3EGFRITK
SCHEMBL23243691 0.78 CTSC (0.65) 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.