SCHEMBL16371017

SCHEMBL16371017

CSc1ncc(C(=O)Nc2ccccc2)c(Nc2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.56
MEN1 O00255 9/20 0.56
ALDH1A1 P00352 4/20 0.56
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
EGFR P00533 1/20 0.50
BTK Q06187 1/20 0.50
MAPT P10636 5/20 0.49
LMNA P02545 3/20 0.49
POLB P06746 3/20 0.49
HTT P42858 2/20 0.49
TNF P01375 2/20 0.49
NOD1 Q9Y239 2/20 0.49
POLA1 P09884 1/20 0.49
THRB P10828 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 2/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL17837358 0.90 SYK (0.52) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL30879330 0.87 HTT (0.51) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL30878680 0.82 SYK (0.72) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL17837350 0.82 SYK (0.72) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL30878987 0.80 HTT (0.58) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL13498137 0.78 EGFR (0.53) KMT2AMEN1RAB9ANPC1EGFR
SCHEMBL19441968 0.77 SYK (0.55) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL16824949 0.76 RXFP1 (0.53) KMT2AMEN1ALDH1A1EGFRBTK
SCHEMBL15992367 0.76 SYK (0.57) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL6996215 0.74 ABCG2 (0.57) EGFRABCG2

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 16 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-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-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-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-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-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
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
EP-3019491-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE Dana-Farber Cancer Institute, Inc. (US) 2016-05-18 EP disclosed
WO-2015006492-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-01-15 WO 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 KMT2A 1697/4885MEN1 3935/4885ALDH1A1 3876/4885
US-20170369449-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC KMT2A 1697/4885MEN1 3935/4885ALDH1A1 3876/4885
US-10906878-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC KMT2A 1697/4885MEN1 3935/4885ALDH1A1 3876/4885
US-10316002-B2 Kinase inhibitors for the treatment of disease BLK, ROS1, TEC KMT2A 1697/4885MEN1 3935/4885ALDH1A1 3876/4885
US-20160176825-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE BLK, ROS1, TEC KMT2A 1697/4885MEN1 3935/4885ALDH1A1 3876/4885

“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.