SCHEMBL9950249

SCHEMBL9950249

CSc1nc(Cl)cc(-n2c(C(F)F)nc3cc(F)ccc32)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
PIK3CB P42338 4/20 0.35
TBXA2R P21731 4/20 0.34
HSP90AA1 P07900 1/20 0.34
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3C2B O00750 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
MEN1 O00255 2/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL9950895 0.91 KMT2A (0.44) KMT2APIK3CBHSP90AA1ALDH1A1GAA
SCHEMBL15029841 0.88 KMT2A (0.44) KMT2APIK3CBALDH1A1GAASMN1; SMN2
SCHEMBL9950056 0.86 PIK3CB (0.49) KMT2APIK3CBMAPTPIK3CDPIK3C2B
SCHEMBL16308083 0.82 KMT2A (0.45) KMT2APIK3CBALDH1A1GAASMN1; SMN2
SCHEMBL10124146 0.82 PIK3CB (0.57) KMT2APIK3CBMAPTPIK3CDPIK3C2B
SCHEMBL15009018 0.81 KMT2A (0.44) KMT2APIK3CBALDH1A1GAASMN1; SMN2
SCHEMBL15029893 0.79 PIK3CB (0.53) KMT2APIK3CBALDH1A1GAASMN1; SMN2
SCHEMBL15029570 0.79 KMT2A (0.42) KMT2APIK3CBPIK3CDPIK3CAKDM4E
SCHEMBL15009622 0.76 PIK3CB (0.57) PIK3CBMAPTPIK3CDPIK3C2BPIK3R1
SCHEMBL15029837 0.76 KMT2A (0.43) KMT2APIK3CBPIK3CDPIK3R1PIK3CA

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-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA KMT2A 1656/4885PIK3CB 13/4885TBXA2R 185/4885

“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.