SCHEMBL1308249

SCHEMBL1308249

O=C(O)c1ccc(Cl)cc1NC(=O)C1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.64
TSHR P16473 1/20 0.64
GRIK1 P39086 7/20 0.55
KMT2A Q03164 4/20 0.54
KDM4E B2RXH2 3/20 0.54
MEN1 O00255 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP2C19 P33261 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
GRM5 P41594 1/20 0.50
SERPINE1 P05121 1/20 0.49

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
SCHEMBL1309322 0.99 HSD17B10 (0.66) HSD17B10TSHRGRIK1KMT2AKDM4E
SCHEMBL29964652 0.93 TSHR (0.65) HSD17B10TSHRGRIK1KMT2AKDM4E
SCHEMBL29964657 0.93 TSHR (0.65) HSD17B10TSHRGRIK1KMT2AKDM4E
SCHEMBL28734364 0.82 KMT2A (0.58) KMT2AKDM4EMEN1ALDH1A1CYP2C19
SCHEMBL29721812 0.82 KMT2A (0.58) KMT2AKDM4EMEN1ALDH1A1CYP2C19
SCHEMBL2270149 0.82 ACLY (0.57) HSD17B10KDM4EALDH1A1
SCHEMBL4602392 0.81 HDAC1 (0.56) HSD17B10KDM4EALDH1A1GRM5
SCHEMBL1463554 0.81 RAB9A (0.67) HSD17B10TSHRGRIK1KMT2AMEN1
SCHEMBL14544782 0.80 KMT2A (0.47) HSD17B10TSHRKMT2AKDM4EMEN1
SCHEMBL7814976 0.79 ALDH1A1 (0.68) HSD17B10TSHRKDM4ESMN1; SMN2ALDH1A1

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
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US claimed
US-8053454-B2 Pyridopyrimidinone inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2011-11-08 US disclosed
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 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-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 PIM1, PIM3, PIM2 HSD17B10 4168/4885TSHR 1916/4885GRIK1 2986/4885

“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.