SCHEMBL4483792

SCHEMBL4483792

Fc1nc(NCc2ccccn2)c2nc[nH]c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.51
JAK2 O60674 1/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
PDE5A O76074 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PTPN11 Q06124 1/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PIP4K2C Q8TBX8 1/20 0.41

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
SCHEMBL13676637 0.84 HTT (0.57) RECQLMAOAMAOBSMN1; SMN2PDE5A
SCHEMBL20119459 0.84 RECQL (0.51) RECQLJAK2MAOAMAOBSMN1; SMN2
SCHEMBL5997041 0.82 CDK1 (0.48) JAK2LMNATSHRKMT2AMEN1
SCHEMBL3298449 0.82 CDK2 (0.40) RECQLMAOAMAOBSMN1; SMN2NPC1
SCHEMBL30850618 0.80 RECQL (0.65) RECQLMAOAMAOBSMN1; SMN2PDE5A
SCHEMBL15426196 0.80 RECQL (0.65) RECQLMAOAMAOBSMN1; SMN2PDE5A
SCHEMBL3302940 0.79 IGF1R (0.43) MAOAMAOBLMNAALDH1A1KMT2A
SCHEMBL3304345 0.78 KCNH3 (0.39) JAK2SMN1; SMN2PDE5AHTTLMNA
SCHEMBL17450144 0.78 AURKA (0.41) JAK2SMN1; SMN2HTTLMNATSHR
SCHEMBL17442983 0.78 LMNA (0.52) PDE5AHTTLMNAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612079-B2 2,6,9-substituted purine derivatives and their use in the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-11-03 US disclosed
US-20090270427-A1 PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2009-10-29 US disclosed
US-20090270427-A1 PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2009-10-29 US disclosed
US-20090270427-A1 PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2009-10-29 US disclosed
US-7544689-B2 Purine derivatives CYCLACEL LIMITED (GB) 2009-06-09 US disclosed
US-7544689-B2 Purine derivatives CYCLACEL LIMITED (GB) 2009-06-09 US disclosed
US-7544689-B2 Purine derivatives CYCLACEL LIMITED (GB) 2009-06-09 US disclosed
CN-1312152-C Novel purine derivatives CYCLACEL LTD (GB) 2007-04-25 CN disclosed
US-20060183760-A1 New purine derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-08-17 US disclosed
EP-1534708-B1 PURINE DERIVATIVES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS CYCLACEL LTD (GB) 2006-04-26 EP disclosed
US-20050256142-A1 4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol;antiproliferative agents; viricides; alopecia; strokes; central nervous system diorders; neurodegenerative diseases; antidiabetic agents; mitosis; cyclin dependent kinase inhibitors; protein kinase inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-11-17 US disclosed
CN-1675213-A Novel purine derivatives CYCLACEL LTD (GB) 2005-09-28 CN disclosed
EP-1399446-B1 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LTD (GB) 2005-08-03 EP disclosed
EP-1534708-A2 PURINE DERIVATIVES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS Cyclacel Limited (GB) 2005-06-01 EP disclosed
US-20050009846-A1 2,6,9-Substituted purine derivatives and their use in the treatment of proliferative disorders CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-01-13 US disclosed
EP-1399446-A1 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2004-03-24 EP disclosed
WO-2004016613-A2 PURINE DERIVATIVES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS CYCLACEL LIMITED (GB) 2004-02-26 WO disclosed
WO-2003002565-A1 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE N THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2003-01-09 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 (4 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-20060183760-A1 New purine derivatives C5, CYC1, CCNH RECQL 565/4885JAK2 904/4885MAOA 1770/4885
US-20050256142-A1 4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol;antiproliferative agents; viricides; alopecia; strokes; central nervous system diorders; neurodegenerative diseases; antidiabetic agents; mitosis; cyclin dependent kinase inhibitors; protein kinase inhibitors CDK1, CDK2, CCND1 RECQL 1051/4885JAK2 55/4885MAOA 2371/4885
US-20050009846-A1 2,6,9-Substituted purine derivatives and their use in the treatment of proliferative disorders TYMP, PNP, IMPDH1 RECQL 206/4885JAK2 250/4885MAOA 3267/4885
US-20090270427-A1 PURINE DERIVATIVES C5, CYC1, CCNH RECQL 584/4885JAK2 668/4885MAOA 1407/4885

“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.