SCHEMBL17857020

SCHEMBL17857020

COc1cc(N2CCN(C)CC2)ccc1Nc1cc(N(C(=O)NCCc2ccccc2)c2cccc(N)c2)ncn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.53
SIK1 P57059 1/20 0.45
MELK Q14680 1/20 0.45
SIK2 Q9H0K1 1/20 0.45
SIK3 Q9Y2K2 1/20 0.45
HTR6 P50406 2/20 0.44
FGFR3 P22607 5/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
FGFR1 P11362 1/20 0.44
DYRK1A Q13627 1/20 0.44
EGFR P00533 6/20 0.43
IGF1R P08069 1/20 0.41
JAK3 P52333 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
SCHEMBL17837360 0.93 BTK (0.61) BTKSIK1MELKSIK2SIK3
SCHEMBL17857017 0.88 BTK (0.70) BTKFGFR1EGFRJAK3
SCHEMBL16371246 0.88 BTK (0.62) BTKSIK1MELKSIK2SIK3
SCHEMBL19441963 0.87 BTK (0.57) BTKSIK1MELKSIK2SIK3
SCHEMBL17857022 0.83 BTK (0.65) BTKFGFR3CYP3A4CYP2C9CYP2C19
SCHEMBL17857109 0.83 BTK (0.58) BTKSIK1MELKSIK2SIK3
SCHEMBL17857021 0.82 BTK (0.66) BTKSIK1MELKSIK2SIK3
SCHEMBL17837342 0.81 BTK (0.81) BTKFGFR1EGFRJAK3
SCHEMBL21081534 0.80 BTK (0.65) BTKSIK1MELKSIK2SIK3
SCHEMBL30537280 0.79 BTK (0.59) BTKSIK1MELKSIK2SIK3

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 4/4885SIK1 513/4885MELK 38/4885
US-20170369449-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC BTK 4/4885SIK1 513/4885MELK 38/4885
US-10906878-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC BTK 4/4885SIK1 513/4885MELK 38/4885
US-10316002-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC BTK 4/4885SIK1 513/4885MELK 38/4885
US-20160176825-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC BTK 4/4885SIK1 513/4885MELK 38/4885

“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.