SCHEMBL4892380

SCHEMBL4892380

N#Cc1cc2c(nc1N)sc1c(N)nc(N)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPT P10636 8/20 0.47
ALDH1A1 P00352 5/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
RAB9A P51151 3/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 3/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.36
EEF2K O00418 1/20 0.36
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
LIMK1 P53667 3/20 0.34
HSP90AB1 P08238 1/20 0.34
CLK1 P49759 1/20 0.33

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
SCHEMBL18537688 0.71 KDM4E (0.60) KDM4ESMN1; SMN2HSD17B10MAPTALDH1A1
SCHEMBL4903044 0.68 MAPT (0.70) KDM4ESMN1; SMN2HSD17B10MAPTALDH1A1
SCHEMBL18999975 0.68 KDM4E (0.56) KDM4ESMN1; SMN2HSD17B10MAPTALDH1A1
SCHEMBL4900030 0.67 CDC7 (0.55) KDM4ESMN1; SMN2HSD17B10MAPTALDH1A1
SCHEMBL19769220 0.67 MAPT (0.74) KDM4ESMN1; SMN2MAPTALDH1A1RXFP1
SCHEMBL14955568 0.67 MAPT (0.74) KDM4ESMN1; SMN2HSD17B10MAPTALDH1A1
SCHEMBL5748900 0.65 KDM4E (0.46) KDM4ESMN1; SMN2HSD17B10MAPTALDH1A1
SCHEMBL27883168 0.65 KDM4E (0.57) KDM4ESMN1; SMN2HSD17B10MAPTALDH1A1
SCHEMBL4903426 0.64 MAPT (0.47) KDM4ESMN1; SMN2HSD17B10MAPTALDH1A1
SCHEMBL4902497 0.62 MEN1 (0.53) KDM4ESMN1; SMN2HSD17B10MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses CYWIN CHARLES L 2008-01-10 US disclosed
US-7291733-B2 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
EP-1673374-A2 SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
US-20050101601-A1 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-12 US disclosed
WO-2005035537-A2 SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-21 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-20050101601-A1 Substituted tricyclic heterocycles and their uses LTC4S, NQO1, CBR3 KDM4E 3715/4885SMN1; SMN2 3445/4885HSD17B10 792/4885
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses LTC4S, NQO1, CBR3 KDM4E 3715/4885SMN1; SMN2 3445/4885HSD17B10 792/4885

“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.