SCHEMBL4286953

SCHEMBL4286953

CN(C(=O)c1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1NC(=O)c1cnccn1)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.42
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 2/20 0.41
MAPT P10636 1/20 0.41
MCL1 Q07820 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.38
BRAF P15056 1/20 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
SCHEMBL4285067 0.81 TSHR (0.47) TSHRALDH1A1ALOX15MAPTMCL1
SCHEMBL4289698 0.76 ALDH1A1 (0.43) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL4289358 0.75 RAB9A (0.41) TSHRALDH1A1ALOX15MAPTHPGD
SCHEMBL4285161 0.72 MAPT (0.41) PDE10ATSHRALDH1A1ALOX15MAPT
SCHEMBL4285857 0.71 TSHR (0.39) TSHRALDH1A1CYP1A2CYP3A4
SCHEMBL4288801 0.70 HTT (0.39) TSHRALDH1A1ALOX15CYP1A2POLB
SCHEMBL18064949 0.63 MCL1 (0.73) TSHRALDH1A1ALOX15MAPTMCL1
SCHEMBL28125540 0.62 MCL1 (0.71) TSHRALDH1A1ALOX15MAPTMCL1
SCHEMBL28270381 0.62 MCL1 (0.71) TSHRALDH1A1ALOX15MAPTMCL1
Acetic Acid SCHEMBL29024761 0.61 NPC1 (0.56) TSHRALDH1A1HPGDPOLBSMN1; SMN2

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-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP PDE10A 1203/4885TSHR 2251/4885ALDH1A1 694/4885

“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.