SCHEMBL3259526

SCHEMBL3259526

Sc1nnc2sc(-c3ccccc3)cn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.45
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HSD17B10 Q99714 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
MET P08581 1/20 0.32

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
SCHEMBL4769711 0.68 EGFR (0.41) EGFRALDH1A1LMNAGAAHPGD
SCHEMBL28686949 0.68 EGFR (0.47) EGFRALDH1A1LMNAGAAHPGD
SCHEMBL10370967 0.64 EGFR (0.43) EGFRALDH1A1LMNAGAAHPGD
SCHEMBL12597336 0.63 EGFR (0.50) EGFRALDH1A1HPGDKDM4EALOX15
SCHEMBL14814610 0.62 BRD4 (0.60) ALDH1A1LMNAHPGDKDM4EALOX15
SCHEMBL7021965 0.58 KDR (0.52)
SCHEMBL498650 0.57 HSD17B1 (0.65) ALDH1A1HPGDKDM4EAPOBEC3GNPC1
SCHEMBL25101275 0.57 KMT2A (0.48) ALDH1A1LMNAHPGDNPSR1TSHR
SCHEMBL2241368 0.56 HSD17B1 (0.62) ALDH1A1HPGDKDM4EAPOBEC3GNPC1
SCHEMBL2240182 0.56 HSD17B1 (0.62) ALDH1A1HPGDKDM4EAPOBEC3GNPC1

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-2162132-A1 HETEROCYCLIC KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2010-03-17 EP disclosed
US-20090156594-A1 HETEROCYCLIC KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-06-18 US disclosed
US-20090156594-A1 HETEROCYCLIC KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-06-18 US disclosed
US-20090156594-A1 HETEROCYCLIC KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-06-18 US disclosed
WO-2008144767-A1 HETEROCYCLIC KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
WO-2008144767-A1 HETEROCYCLIC KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-11-27 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 (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-20090156594-A1 HETEROCYCLIC KINASE MODULATORS MAP3K20, MAP4K2, MAP3K13 EGFR 667/4885ALDH1A1 4524/4885LMNA 3861/4885

“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.