SCHEMBL17857074

SCHEMBL17857074

C=CC(=O)Nc1cccc(N(C(=O)OCc2ccccc2)c2ccnc(Nc3cnn(C4CCOCC4)c3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 1.00
JAK3 P52333 11/20 0.59
EGFR P00533 4/20 0.53
MAP3K7 O43318 1/20 0.51
MAPK1 P28482 1/20 0.51
MAP2K1 Q02750 1/20 0.51
JAK2 O60674 5/20 0.42
JAK1 P23458 5/20 0.42
TYK2 P29597 4/20 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
SCHEMBL19441958 0.90 BTK (0.81) BTKJAK3EGFRMAP3K7MAPK1
SCHEMBL17857075 0.88 BTK (1.00) BTKJAK3EGFRJAK2JAK1
SCHEMBL17857072 0.88 BTK (1.00) BTKJAK3EGFRMAP3K7MAPK1
SCHEMBL18411128 0.86 BTK (0.75) BTKJAK3EGFRMAP3K7MAPK1
SCHEMBL19441970 0.85 BTK (0.75) BTKJAK3EGFRMAP3K7MAPK1
SCHEMBL18411133 0.84 BTK (0.72) BTKJAK3EGFRJAK2JAK1
SCHEMBL17857095 0.83 BTK (0.83) BTKJAK3EGFRJAK2JAK1
SCHEMBL18411303 0.83 BTK (0.89) BTKJAK3EGFRJAK2JAK1
SCHEMBL18411298 0.82 BTK (0.88) BTKJAK3EGFRMAP3K7MAPK1
SCHEMBL18411387 0.82 BTK (0.88) BTKJAK3EGFRMAP3K7MAPK1

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.