SCHEMBL21715499

SCHEMBL21715499

O=C(Nc1ccc(F)cc1)Nc1cc(F)c(F)c(C(=O)c2ccc3nccnc3c2)c1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.47
MEN1 O00255 8/20 0.47
MAPT P10636 8/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 11/20 0.46
NPC1 O15118 10/20 0.46
POLB P06746 5/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SMN1; SMN2 Q16637 7/20 0.44
TP53 P04637 3/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 4/20 0.44
TAAR1 Q96RJ0 1/20 0.44
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 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
SCHEMBL15619378 0.88 NPC1 (0.53) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL14783144 0.88 RAB9A (0.47) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL29591627 0.88 RAB9A (0.47) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL21715498 0.85 HDAC3 (0.50) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL15620540 0.84 RAB9A (0.45) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL14716072 0.83 KMT2A (0.46) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL15619407 0.83 BAZ1A (0.39) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL29590598 0.83 KDR (0.53) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL14783778 0.83 KDR (0.53) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL14783317 0.82 BRAF (0.52) KMT2AMEN1MAPTRAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759766-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2020-09-01 US disclosed
US-20200055828-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2020-02-20 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 (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-20200055828-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS KMT2A 491/4885MEN1 358/4885MAPT 3397/4885
US-10759766-B2 Certain chemical entities, compositions, and methods BRAF, NRAS, KRAS KMT2A 491/4885MEN1 358/4885MAPT 3397/4885

“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.