SCHEMBL21177249

SCHEMBL21177249

CC(C)c1cnc(-c2ccc(F)cc2)nc1Nc1ccnc2[nH]cc(Br)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 5/20 0.34
WDR48 Q8TAF3 5/20 0.34
TGFBR1 P36897 6/20 0.33
TGFBR2 P37173 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
PIK3CA P42336 1/20 0.32

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
SCHEMBL21190032 0.83 MAPK8 (0.38) TGFBR1USP2CYP1A2CYP3A4CYP2C19
SCHEMBL21177489 0.82 SCN9A (0.35) TGFBR1MEN1KMT2AUSP2CYP1A2
SCHEMBL21177269 0.82 HDAC1 (0.34) TGFBR1MEN1KMT2AUSP2CYP1A2
SCHEMBL21190142 0.82 ROCK2 (0.42) ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL21189975 0.82 ROCK2 (0.40) ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL21189982 0.82 CYP3A4 (0.43) MEN1KMT2AUSP2CYP1A2CYP3A4
SCHEMBL21190173 0.82 ROCK1 (0.43) ROCK2ROCK1CDC42BPACDC42BPB
Hydrochloric Acid SCHEMBL21177477 0.82 SCN9A (0.35) TGFBR1MEN1KMT2AUSP2CYP1A2
SCHEMBL21190037 0.82 CCNT1 (0.31) USP1WDR48TGFBR1TGFBR2ROCK2
SCHEMBL21179409 0.80 TGFBR1 (0.46) TGFBR1TGFBR2ROCK2ROCK1CDC42BPB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200171030-A1 DUAL INHIBITORS OF ALK5 AND P38A MAP KINASE INTEGRAL BIOSCIENCES PRIVATE LTD (IN) 2020-06-04 US disclosed
WO-2019142128-A1 DUAL INHIBITORS OF ALK5 AND P38Α MAP KINASE INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2019-07-25 WO disclosed
WO-2019142128-A1 DUAL INHIBITORS OF ALK5 AND P38Α MAP KINASE INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2019-07-25 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 (1 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-20200171030-A1 DUAL INHIBITORS OF ALK5 AND P38A MAP KINASE MAP2K2, MAP2K5, MAP2K1 USP1 3883/4885WDR48 4682/4885TGFBR1 27/4885

“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.