SCHEMBL17857072

SCHEMBL17857072

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 1.00
JAK3 P52333 12/20 0.54
JAK1 P23458 5/20 0.54
JAK2 O60674 5/20 0.54
TTK P33981 2/20 0.54
TYK2 P29597 2/20 0.49
EGFR P00533 3/20 0.47
MAP3K7 O43318 1/20 0.45
MAPK1 P28482 1/20 0.45
MAP2K1 Q02750 1/20 0.45
AURKA O14965 1/20 0.45

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
SCHEMBL18411298 0.94 BTK (0.88) BTKJAK3JAK1JAK2TTK
SCHEMBL18411387 0.94 BTK (0.88) BTKJAK3JAK1JAK2TTK
SCHEMBL18411243 0.93 BTK (0.87) BTKJAK3JAK1JAK2TTK
SCHEMBL17857095 0.91 BTK (0.83) BTKJAK3JAK1JAK2TTK
SCHEMBL18411218 0.91 BTK (0.83) BTKJAK3JAK1JAK2TTK
SCHEMBL18411297 0.88 BTK (0.79) BTKJAK3JAK1JAK2TTK
SCHEMBL18411295 0.88 BTK (0.79) BTKJAK3JAK1JAK2TTK
SCHEMBL17857075 0.88 BTK (1.00) BTKJAK3JAK1JAK2TTK
SCHEMBL17857074 0.88 BTK (1.00) BTKJAK3JAK1JAK2TYK2
SCHEMBL18396640 0.88 BTK (0.78) BTKJAK3JAK1JAK2TTK

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 18/4885JAK1 13/4885
US-20170369449-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC BTK 4/4885JAK3 18/4885JAK1 13/4885
US-10906878-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC BTK 4/4885JAK3 18/4885JAK1 13/4885
US-10316002-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC BTK 4/4885JAK3 18/4885JAK1 13/4885
US-20160176825-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC BTK 4/4885JAK3 18/4885JAK1 13/4885

“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.