SCHEMBL10108326

SCHEMBL10108326

Cn1cnc(N=O)c1/C=C/c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.46
RAB9A P51151 5/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 2/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
NPC1 O15118 4/20 0.36
GRM5 P41594 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 3/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL6207532 0.76 IP6K1 (0.46) IP6K1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL10108427 0.76 MAOA (0.38) IP6K1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7561946 0.73 ALDH1A1 (0.52) IP6K1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7561953 0.73 ALDH1A1 (0.52) IP6K1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4767226 0.67 KDR (0.59) IP6K1RAB9AKDM4ESMN1; SMN2KMT2A
SCHEMBL10108322 0.65 TAAR1 (0.44) IP6K1KDM4EALDH1A1KMT2AMEN1
SCHEMBL13264504 0.62 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RECQLKMT2AMEN1
SCHEMBL28198316 0.62 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RECQLKMT2AMEN1
(Z)-1,2-Diphenylethene SCHEMBL28156521 0.61 MAOB (0.65) ALDH1A1KMT2AMEN1LMNAMAPK1
(Z)-1,2-Diphenylethene SCHEMBL28291545 0.61 MAOB (0.65) ALDH1A1KMT2AMEN1LMNAMAPK1

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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K IP6K1 1320/4885RAB9A 3682/4885KDM4E 724/4885

“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.