SCHEMBL6449102

SCHEMBL6449102

Cn1nc(-c2ccccn2)nc1-c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
APAF1 O14727 1/20 0.46
KDM4A O75164 1/20 0.46
TDP2 O95551 1/20 0.46
EGFR P00533 1/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
PPARG P37231 1/20 0.46
CASP3 P42574 1/20 0.46
RECQL P46063 1/20 0.46
DUSP3 P51452 1/20 0.46
GALK1 P51570 1/20 0.46

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
SCHEMBL6451150 0.88 NPC1 (0.44) MAPTNPC1KDM4EMAPK1RAB9A
SCHEMBL6460751 0.84 MAPK1 (0.46) MAPTALDH1A1NPC1KDM4EMAPK1
SCHEMBL6448715 0.79 KMT2A (0.46) MAPTNPC1KDM4EMAPK1RAB9A
SCHEMBL6459175 0.78 KDM4A (0.52) MAPTALDH1A1NPC1KDM4EMAPK1
SCHEMBL6457282 0.77 NPC1 (0.48) MAPTNPC1KDM4EMAPK1RAB9A
SCHEMBL6453712 0.76 KDM4E (0.47) MAPTALDH1A1NPC1KDM4EMAPK1
SCHEMBL6453666 0.75 KDM4E (0.46) MAPTNPC1KDM4EMAPK1RAB9A
SCHEMBL6450052 0.74 NPC1 (0.48) MAPTALDH1A1NPC1KDM4EMAPK1
SCHEMBL6453933 0.74 IDH1 (0.51) MAPTALDH1A1NPC1KDM4EMAPK1
SCHEMBL6452334 0.73 SMN1; SMN2 (0.57) NPC1KDM4ERAB9ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC MAPT 2805/4885ALDH1A1 287/4885NPC1 59/4885

“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.