SCHEMBL6943471

SCHEMBL6943471

NC1CCN(CCCN(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 3/20 0.46
SIGMAR1 Q99720 6/20 0.46
MEN1 O00255 2/20 0.45
RAB9A P51151 1/20 0.45
CCR3 P51677 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
NAMPT P43490 1/20 0.44
PRMT3 O60678 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PRMT1 Q99873 1/20 0.43
PRMT8 Q9NR22 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
SCHEMBL6939666 0.96 SIGMAR1 (0.47) KDM4ELMNAGAAKMT2ASIGMAR1
SCHEMBL6947012 0.94 SIGMAR1 (0.49) KDM4ELMNAGAAKMT2ASIGMAR1
SCHEMBL6939790 0.91 KMT2A (0.47) KDM4ELMNAGAAKMT2ASIGMAR1
SCHEMBL3631678 0.81 SIGMAR1 (0.49) SIGMAR1CCR3NAMPT
SCHEMBL10935514 0.80 PRMT3 (0.51) KMT2ASIGMAR1MEN1RAB9ACCR3
SCHEMBL1587336 0.80 SIGMAR1 (0.70) KMT2ASIGMAR1MEN1CCR3TP53
SCHEMBL16334964 0.79 SIGMAR1 (0.64) SIGMAR1NAMPT
SCHEMBL17782045 0.79 SIGMAR1 (0.50) SIGMAR1CCR3NAMPT
SCHEMBL6700770 0.78 SIGMAR1 (0.69) KMT2ASIGMAR1MEN1CCR3TP53
Hydrochloric Acid SCHEMBL7983474 0.78 SIGMAR1 (0.68) KMT2ASIGMAR1MEN1CCR3TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6642231-B2 Antineoplastic agents, treatment for neuronal injury and degeneration AVENTIS PHARMACEUTICALS INC. 2003-11-04 US disclosed
EP-1056744-B1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMA INC (US) 2003-10-22 EP disclosed
US-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AVENTISUB II INC. 2003-06-05 US disclosed
US-6479487-B1 INHIBIT CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; ANTIAPOPTOSIS AGENT; INHIBITS DEVELOPMENT OF NEOPLASMS AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
EP-1056744-A1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP disclosed
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 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-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines CDK6, CDK5, CDK2 KDM4E 990/4885LMNA 2388/4885GAA 3891/4885

“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.