SCHEMBL4483788

SCHEMBL4483788

NC(c1ccccn1)c1nc(F)nc2[nH]cnc12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SYK P43405 1/20 0.30
KCNA5 P22460 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL3304341 0.78 MAPK13 (0.30)
SCHEMBL3854602 0.77 CFTR (0.33) SLC6A2SLC6A4SLC6A3KCNA5
SCHEMBL23762179 0.70 HPGD (0.35) KMT2A
SCHEMBL4484465 0.70 CDK2 (0.43) MAPT
SCHEMBL1131039 0.67 SLC6A2 (0.54) MAPTMEN1KMT2ASLC6A2SLC6A4
SCHEMBL4483792 0.66 RECQL (0.51) MAPTMEN1KMT2AKCNA5KCNH2
Hydrochloric Acid SCHEMBL6775513 0.65 SLC6A2 (0.52) MAPTMEN1KMT2ASLC6A2SLC6A4
Methane SCHEMBL28543758 0.65 SLC6A2 (0.52) MAPTMEN1KMT2ASLC6A2SLC6A4
SCHEMBL18874066 0.65
SCHEMBL11977311 0.65 GDA (0.33)

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 12 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-7544689-B2 Purine derivatives CYCLACEL LIMITED (GB) 2009-06-09 US 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
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 MAPT 3381/4885MEN1 992/4885KMT2A 3921/4885
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 MAPT 2615/4885MEN1 2187/4885KMT2A 2655/4885
US-20050009846-A1 2,6,9-Substituted purine derivatives and their use in the treatment of proliferative disorders TYMP, PNP, IMPDH1 MAPT 4227/4885MEN1 1362/4885KMT2A 1373/4885
US-20090270427-A1 PURINE DERIVATIVES C5, CYC1, CCNH MAPT 2980/4885MEN1 984/4885KMT2A 3797/4885

“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.