SCHEMBL3607384

SCHEMBL3607384

CSc1ccc(-c2c(C)n[nH]c(=O)c2-c2ncc(Cl)cc2Cl)nc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TLR8 Q9NR97 1/20 0.32
DRD1 P21728 4/20 0.31
MEN1 O00255 2/20 0.31
HTT P42858 2/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSD17B10 Q99714 1/20 0.30
CCNB2 O95067 1/20 0.30
CCNE2 O96020 1/20 0.30
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCNB1 P14635 1/20 0.30
CCND1 P24385 1/20 0.30
CCNE1 P24864 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
SCHEMBL3616132 0.82 KMT2A (0.34) KMT2ANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3621834 0.79 KMT2A (0.33) KMT2ANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL896712 0.79 GRIN2D (0.42) KMT2AMAPTDRD1MEN1HTT
SCHEMBL10000096 0.78 GRIN2D (0.43) KMT2ADRD1MEN1
SCHEMBL10000169 0.76 TYMP (0.38) KMT2AMAPTDRD1MEN1
SCHEMBL3623745 0.76 SMN1; SMN2 (0.37) KMT2ANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL896179 0.68 GRIN2D (0.41) KMT2ANPC1MAPTRAB9ADRD1
SCHEMBL896645 0.67 MAPT (0.45) KMT2AMAPTDRD1MEN1HTT
SCHEMBL3616746 0.67 PTGS2 (0.40) KMT2ANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL10131947 0.67 GRIN2D (0.36) KMT2AMAPTDRD1MEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2143714-B1 TETRAHYDROISOQUINOLINE COMPOUND KOWA CO (JP) 2013-06-05 EP disclosed
US-8273766-B2 Tetrahydroisoquinoline compound KOWA COMPANY, LTD. (JP) 2012-09-25 US disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 US disclosed
US-20100029668-A1 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2010-02-04 US disclosed
EP-2049521-A2 NOVEL PYRIDAZINE DERIVATIVES Syngeta Participations AG (CH) 2009-04-22 EP disclosed
WO-2008009405-A2 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2008-01-24 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 (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-20100029668-A1 NOVEL PYRIDAZINE DERIVATIVES C3AR1, C5, C1S KMT2A 3574/4885NPC1 2554/4885MAPT 4796/4885
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND CCR3, CCR5, CCR1 KMT2A 3570/4885NPC1 266/4885MAPT 2716/4885

“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.