SCHEMBL569319

SCHEMBL569319

CSc1nc2cccnc2n1CC(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 2/20 0.41
TSHR P16473 3/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL30407399 0.81 DYRK1A (0.51) RAB9ANPC1PKMSMN1; SMN2LMNA
SCHEMBL569213 0.76 NPSR1 (0.59) RAB9ANPC1PKMSMN1; SMN2LMNA
SCHEMBL569436 0.75 CYP1A2 (0.43) LMNATP53MAPTPOLBTHRB
SCHEMBL19771402 0.75 TP53 (0.56) LMNATP53MAPTPOLBTHRB
SCHEMBL569037 0.73 RAB9A (0.57) RAB9ANPC1PKMSMN1; SMN2LMNA
SCHEMBL13599973 0.73 RAB9A (0.41) RAB9ANPC1PKMSMN1; SMN2LMNA
SCHEMBL17966781 0.71 ENPP2 (0.59) LMNATP53ALDH1A1POLBTHRB
SCHEMBL927333 0.70 CYP1A2 (0.48) SMN1; SMN2LMNATP53TSHRUSP2
SCHEMBL928327 0.69 CYP1A2 (0.50) SMN1; SMN2LMNATSHRUSP2ALDH1A1
SCHEMBL569384 0.69 THRB (0.37) LMNATP53KMT2AMAPTPOLB

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
EP-2601192-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 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 (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-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS PDE10A, PDE3A, PDE2A RAB9A 64/4885NPC1 3068/4885PKM 3017/4885

“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.