SCHEMBL4165340

SCHEMBL4165340

CC1CN(c2ccc(NC(=N)N)cc2)CC(C)O1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.70
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NAMPT P43490 1/20 0.40
LRRK2 Q5S007 2/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 1/20 0.40
BTK Q06187 1/20 0.39

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
Bicarbonate SCHEMBL3555865 0.94 MAPT (0.63) MAPTPOLBALDH1A1NAMPTLRRK2
SCHEMBL28897407 0.86 MAPT (0.78) MAPTPOLBALDH1A1KMT2A
SCHEMBL29531915 0.83 MAPT (1.00) MAPTPOLBALDH1A1L3MBTL1RAB9A
SCHEMBL5431998 0.81 MAPT (0.83) MAPTPOLBALDH1A1LRRK2RAB9A
SCHEMBL27674679 0.80 MAPT (0.44) MAPTALDH1A1NAMPTKMT2ANPSR1
SCHEMBL13105197 0.78 MAPT (0.66) MAPTPOLBALDH1A1LRRK2KMT2A
SCHEMBL13105222 0.78 MAPT (0.66) MAPTPOLBALDH1A1LRRK2KMT2A
SCHEMBL3555362 0.77 WNT3A (0.45) MAPTALDH1A1NAMPTKMT2AATM
SCHEMBL13716397 0.76 MAPT (0.63) MAPTPOLBLRRK2KMT2ARAB9A
SCHEMBL13370597 0.76 MAPT (0.58) MAPTALDH1A1NAMPTLRRK2KMT2A

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 2054/4885POLB 94/4885ALDH1A1 2743/4885

“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.