SCHEMBL3619563

SCHEMBL3619563

Cc1cccnc1Nc1nc2cc(C(=O)Nc3ccc4ncsc4c3)c(N3CCN(C(=O)O)CC3)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 4/20 0.38
GOT1 P17174 1/20 0.37
TRPV1 Q8NER1 4/20 0.37
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.36
MAT2A P31153 1/20 0.36
JAK3 P52333 1/20 0.35
BTK Q06187 1/20 0.35
RAD52 P43351 1/20 0.35
RAB9A P51151 2/20 0.34
INSR P06213 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
KDR P35968 1/20 0.34
TEK Q02763 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL2924896 0.91 MAT2A (0.38) MAPTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL2926035 0.91 KEAP1 (0.44) MAPTALDH1A1SMN1; SMN2LMNANAMPT
SCHEMBL2931545 0.82 TRPV1 (0.40) GOT1TRPV1HSD17B10POLBMAT2A
SCHEMBL14452332 0.80 IKBKB (0.41) MAPTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL2928663 0.77 TRPV1 (0.52) MAPTALDH1A1LMNATRPV1HSD17B10
SCHEMBL2931752 0.76 LMNA (0.39) MAPTALDH1A1LMNATRPV1HSD17B10
SCHEMBL13086192 0.76 TRPV1 (0.51) MAPTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL2931862 0.76 RAF1 (0.42) MAPTLMNATRPV1POLBMAT2A
SCHEMBL2929641 0.76 KCNH2 (0.41) MAPTLMNATRPV1RAB9ANPC1
SCHEMBL2933174 0.76 KEAP1 (0.39) MAT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 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-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB MAPT 1464/4885ALDH1A1 3036/4885SMN1; SMN2 4734/4885

“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.