SCHEMBL1104757

SCHEMBL1104757

c1cnc2c(c1)nc1n2CCOC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 6/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
MAPK1 P28482 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
METAP1 P53582 2/20 0.37
ALOX15 P16050 1/20 0.37
GRM5 P41594 1/20 0.37
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL1104773 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EALOX15USP2PDE4B
SCHEMBL1104755 0.76 KDM4E (0.51) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL839535 0.76 TP53 (0.54) POLBALDH1A1TP53NPC1RAB9A
SCHEMBL1104761 0.74 MEN1 (0.51) ALDH1A1MAPTKDM4ESMN1; SMN2ALOX15
SCHEMBL1104771 0.73 MEN1 (0.54) ALDH1A1TP53MAPTKDM4ESMN1; SMN2
SCHEMBL12165325 0.73 PIK3CD (0.42) ALDH1A1TP53NPC1RAB9AMAPK1
SCHEMBL24640290 0.72 HTR3A (0.46) MAPTKDM4EMETAP1TSHR
SCHEMBL18202170 0.72 HRH1 (0.38) ALDH1A1NPC1RAB9AKDM4EGRM5
SCHEMBL1104770 0.72 HTR2C (0.46) ALDH1A1TP53MAPTKDM4ELMNA
SCHEMBL24089108 0.70 POLB (0.39) POLBALDH1A1TP53NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420817-B2 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-04-16 US disclosed
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-06-28 US disclosed
US-8153796-B2 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-04-10 US disclosed
US-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-07-08 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 (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-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 POLB 2621/4885ALDH1A1 1200/4885TP53 3991/4885
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 POLB 2621/4885ALDH1A1 1200/4885TP53 3991/4885

“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.