SCHEMBL4860740

SCHEMBL4860740

C[C@@H](Cl)c1cnc(-c2ccc(C(F)(F)F)cc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.43
PRMT5 O14744 1/20 0.38
KIF11 P52732 3/20 0.37
DYRK1A Q13627 2/20 0.37
DYRK2 Q92630 2/20 0.37
NPC1 O15118 2/20 0.36
PPARD Q03181 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CDK2 P24941 2/20 0.36
AKT1 P31749 1/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MDM2 Q00987 1/20 0.35
FFAR1 O14842 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL27650502 1.00 PDE2A (0.43) PDE2APRMT5KIF11DYRK1ADYRK2
SCHEMBL4860735 1.00 PDE2A (0.43) PDE2APRMT5KIF11DYRK1ADYRK2
SCHEMBL23367934 0.88 PDE2A (0.44) PDE2APRMT5KIF11DYRK1ADYRK2
SCHEMBL4862477 0.85 PDE2A (0.43) PDE2APRMT5KIF11DYRK1ADYRK2
SCHEMBL3375383 0.85 PDE2A (0.43) PDE2APRMT5KIF11DYRK1ADYRK2
SCHEMBL4862481 0.85 PDE2A (0.43) PDE2APRMT5KIF11DYRK1ADYRK2
SCHEMBL27769540 0.81 PDE2A (0.43) PDE2APRMT5NPC1PPARDALDH1A1
SCHEMBL27769542 0.81 PDE2A (0.43) PDE2APRMT5KIF11NPC1PPARD
SCHEMBL18167775 0.79 KIF11 (0.45) PRMT5KIF11DYRK1ADYRK2NPC1
SCHEMBL30279827 0.77 HSD17B1 (0.49) PRMT5KIF11DYRK1ADYRK2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345067-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
EP-1636198-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
WO-2004111020-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-23 WO disclosed
US-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-12-09 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-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals PPARA, PPARD, PPARG PDE2A 718/4885PRMT5 1321/4885KIF11 3064/4885

“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.