SCHEMBL4901771

SCHEMBL4901771

O=C(c1ccccc1)N1CCN(c2[nH]c(Cl)nc3ncnc2-3)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
CKS1B P61024 1/20 0.50
SKP1 P63208 1/20 0.50
SKP2 Q13309 1/20 0.50
LMNA P02545 1/20 0.48
KIT P10721 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC6A7 Q99884 2/20 0.45
HTR2B P41595 1/20 0.45
KDM4E B2RXH2 1/20 0.44
SMO Q99835 3/20 0.44
MGLL Q99685 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL4913227 0.83 MAPT (0.40) ALDH1A1LMNAKMT2AMAPTPOLB
Hydrochloric Acid SCHEMBL4899154 0.82 MAPT (0.39) ALDH1A1LMNAKMT2AMAPTPOLB
SCHEMBL4905248 0.80 LMNA (0.51) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL4910047 0.79 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL4905049 0.78 ABCB1 (0.45) ALDH1A1LMNAMEN1KMT2AHTR2B
SCHEMBL4901811 0.76 KDM4E (0.38) ALDH1A1LMNAMEN1KMT2ASLC6A7
SCHEMBL4908538 0.76 HPGD (0.36) ALDH1A1LMNAMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL4904993 0.75 CNR1 (0.41) CKS1BSKP1SKP2KITPOLB
Hydrochloric Acid SCHEMBL4926745 0.74 NPC1 (0.48) ALDH1A1LMNAKDM4ERAB9A
SCHEMBL4910144 0.74 NR3C1 (0.45) ALDH1A1LMNAMEN1KMT2AMAPT

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-20080119467-A1 Purine Derivatives, Compositions Containing Them and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-05-22 US claimed
US-20080119467-A1 Purine Derivatives, Compositions Containing Them and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-05-22 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-20080119467-A1 Purine Derivatives, Compositions Containing Them and Use Thereof TYMP, HPRT1, IMPDH1 ALDH1A1 191/4885CKS1B 1956/4885SKP1 1717/4885

“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.