SCHEMBL6944544

SCHEMBL6944544

NC1CCN(Cc2ccc(F)cc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DPP4 P27487 1/20 0.47
GALR3 O60755 1/20 0.47
NR2F2 P24468 1/20 0.47
ALDH1A1 P00352 5/20 0.47
CXCR4 P61073 1/20 0.47
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
RECQL P46063 1/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 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
SCHEMBL3150259 0.88 DPP4 (0.47) ACHEMEN1KMT2ADRD2DRD4
SCHEMBL6947104 0.84 CYP2A13 (0.62) ACHEMEN1KMT2AALDH1A1CXCR4
SCHEMBL8116232 0.84 CYP2A13 (0.62) ACHEMEN1KMT2AALDH1A1CXCR4
SCHEMBL8107893 0.84 KDM4E (0.66) ACHEDRD2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6948669 0.84 KDM4E (0.66) ACHEDRD2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL13375735 0.82 DRD2 (0.53) ACHEMEN1KMT2ANPC1RAB9A
SCHEMBL6947670 0.81 KDM4E (0.49) ACHEMEN1KMT2ADPP4ALDH1A1
SCHEMBL8109203 0.81 KDM4E (0.49) ACHEMEN1KMT2ADPP4ALDH1A1
SCHEMBL13374349 0.81 ACHE (0.48) ACHEMEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL23850502 0.81 KDM4E (0.60) MEN1KMT2ANPC1RAB9AGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1143858-C 6, 9-disubstituted 2- [ trans- (aminocyclohexyl) amino ] purines, compositions and uses thereof ������ҩ�����޹�˾ 2004-03-31 CN disclosed
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
CN-1292789-A 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AWANDIS PHARMACEUTICAL CORP (US) 2001-04-25 CN 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 ACHE 3357/4885MEN1 3434/4885KMT2A 728/4885

“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.