SCHEMBL4166259

SCHEMBL4166259

N=C(N)Nc1ccc(N2CCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.61
ALDH1A1 P00352 7/20 0.61
KDM4E B2RXH2 5/20 0.61
KMT2A Q03164 4/20 0.61
GAA P10253 4/20 0.61
MEN1 O00255 2/20 0.61
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
GFER P55789 1/20 0.59
NPSR1 Q6W5P4 4/20 0.56
F2 P00734 2/20 0.55
PRSS1 P07477 2/20 0.55
PRSS2 P07478 2/20 0.55
PRSS3 P35030 2/20 0.55
TMPRSS6 Q8IU80 2/20 0.55
ST14 Q9Y5Y6 2/20 0.55
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
GRIN1 Q05586 1/20 0.55

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
SCHEMBL4170782 0.98 GFER (0.62) MAPTALDH1A1KDM4EKMT2AGAA
SCHEMBL1592539 0.85 MAPT (0.58) MAPTALDH1A1KDM4EKMT2AGAA
SCHEMBL2488752 0.84 ADRB1 (0.50) MAPTALDH1A1KDM4EKMT2AGAA
SCHEMBL4162660 0.84 F2 (0.46) MAPTALDH1A1KDM4EKMT2AGAA
SCHEMBL2233880 0.84 RAB9A (0.57) MAPTALDH1A1KDM4EKMT2AGAA
SCHEMBL5074701 0.83 MAPT (0.69) MAPTALDH1A1KDM4EKMT2AGAA
Hydrochloric Acid SCHEMBL658863 0.82 NPC1 (0.56) MAPTALDH1A1KDM4EKMT2AGAA
SCHEMBL27113988 0.80 MAPT (0.48) MAPTALDH1A1KDM4EKMT2AGAA
SCHEMBL27116041 0.80 F2 (0.46) MAPTALDH1A1KDM4EKMT2AGAA
Bicarbonate SCHEMBL3549893 0.80 MAPT (0.60) MAPTALDH1A1KDM4EKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US disclosed
EP-1756098-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2007-02-28 EP disclosed
WO-2005116025-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2005-12-08 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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CDK2, CDK4, CDK20 MAPT 2054/4885ALDH1A1 2743/4885KDM4E 2234/4885

“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.