SCHEMBL18112970

SCHEMBL18112970

COc1cc(C#N)cc(Br)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
TTR P02766 1/20 0.44
ALB P02768 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AR P10275 3/20 0.38
HPGDS O60760 1/20 0.37
HTT P42858 1/20 0.34
EGFR P00533 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE10A Q9Y233 2/20 0.33
EGLN2 Q96KS0 1/20 0.33
ESRRA P11474 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PDE2A O00408 1/20 0.33
CRHR1 P34998 1/20 0.33

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
SCHEMBL16122060 0.81 ALDH1A1 (0.43) ARHPGDSKDM4EUSP2ALDH1A1
SCHEMBL14871817 0.81 AR (0.40) TTRALBARHPGDSPDE10A
SCHEMBL15406588 0.80 TTR (0.58) MEN1TTRALBKMT2AHTT
SCHEMBL16072320 0.79 AR (0.45) ARHPGDSPDE10AKDM4EUSP2
SCHEMBL523635 0.79 TSHR (0.46) MEN1TTRALBKMT2APOLB
SCHEMBL1614422 0.78 AR (0.43) MEN1TTRALBKMT2APOLB
SCHEMBL23653149 0.78 ALDH1A1 (0.41) MEN1KMT2APOLBL3MBTL1AR
SCHEMBL18585500 0.78 MAPT (0.48) MEN1TTRALBKMT2APOLB
SCHEMBL31038036 0.78 TTR (0.44) MEN1TTRALBKMT2APOLB
SCHEMBL8440705 0.78 MEN1 (0.64) MEN1TTRALBKMT2AL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10710978-B2 STK4 inhibitors for treatment of hematologic malignancies DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-07-14 US disclosed
US-20180111916-A1 STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES FONDAZIONE CENTRO SAN RAFFAELE (IT) 2018-04-26 US disclosed
US-20180111916-A1 STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES FONDAZIONE CENTRO SAN RAFFAELE (IT) 2018-04-26 US disclosed
WO-2016161145-A1 STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-06 WO disclosed
WO-2016161145-A1 STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-06 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 (2 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-20180111916-A1 STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES STK4, STK3, STK11 MEN1 3291/4885TTR 3625/4885ALB 4395/4885
US-10710978-B2 STK4 inhibitors for treatment of hematologic malignancies STK4, STK3, STK11 MEN1 3291/4885TTR 3625/4885ALB 4395/4885

“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.