SCHEMBL1460693

SCHEMBL1460693

Cc1[c]nc(-c2ccccn2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 4/20 0.53
MAPT P10636 3/20 0.53
ATM Q13315 1/20 0.53
PDE10A Q9Y233 1/20 0.49
GLA P06280 1/20 0.47
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
CCR8 P51685 1/20 0.45
METAP1 P53582 1/20 0.45

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
SCHEMBL18049512 0.75 HTT (0.47) KDM4EALDH1A1HSD17B10CYP1A2POLB
SCHEMBL12116515 0.70 ALDH1A1 (0.58) KDM4ENPC1RAB9AMAPTATM
SCHEMBL30606304 0.70 ALDH1A1 (0.58) KDM4ENPC1RAB9AMAPTATM
SCHEMBL11982530 0.70 KDM4E (0.74) KDM4ENPC1RAB9AMAPTATM
SCHEMBL1424929 0.70 KDM4E (1.00) KDM4ENPC1RAB9AMAPTATM
SCHEMBL12203630 0.69 KDM4E (0.62) KDM4ENPC1RAB9AMAPTATM
Dipyridyl SCHEMBL31551160 0.68 KDM4E (0.93) KDM4ENPC1RAB9AMAPTATM
Dipyridyl SCHEMBL8716907 0.68 KDM4E (0.93) KDM4ENPC1RAB9AMAPTATM
Dipyridyl SCHEMBL30834350 0.68 KDM4E (0.93) KDM4ENPC1RAB9AMAPTATM
Dipyridyl SCHEMBL5047689 0.68 KDM4E (0.93) KDM4ENPC1RAB9AMAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP claimed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO claimed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US claimed
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
US-6605631-B1 Controlling fungi and pests; improved activity and plant tolerability BASF AKTIENGESELLSCHAFT (DE) 2003-08-12 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E KDM4E 2583/4885NPC1 1299/4885RAB9A 1419/4885

“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.