SCHEMBL4173591

SCHEMBL4173591

Cc1cc(NC(=N)N)ccc1N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
ALDH1A1 P00352 6/20 0.47
NPSR1 Q6W5P4 4/20 0.47
HTT P42858 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MITF O75030 2/20 0.47
G6PD P11413 2/20 0.47
MC4R P32245 2/20 0.47
ITGA4 P13612 2/20 0.47
MAPK9 P45984 2/20 0.47
MAPK10 P53779 2/20 0.47
HPGD P15428 2/20 0.47
ALOX12 P18054 2/20 0.47
TLR9 Q9NR96 1/20 0.47
DGAT1 O75907 1/20 0.46
AKR1C3 P42330 1/20 0.46
LMNA P02545 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
HSP90AA1 P07900 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
SCHEMBL4161854 0.89 MAPT (0.45) MAPTALDH1A1NPSR1HTTSMN1; SMN2
SCHEMBL29639819 0.86 MAPK9 (0.53) MAPTALDH1A1NPSR1HTTSMN1; SMN2
SCHEMBL4156611 0.86 ALDH1A1 (0.50) MAPTALDH1A1NPSR1HTTSMN1; SMN2
SCHEMBL4166402 0.84 SMN1; SMN2 (0.61) MAPTALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL2238255 0.84 HTR1D (0.48) MAPTALDH1A1NPC1RAB9AKIT
SCHEMBL27674823 0.83 HTT (0.59) MAPTALDH1A1HTTSMN1; SMN2MAPK9
SCHEMBL4154654 0.83 SMN1; SMN2 (0.53) MAPTALDH1A1HTTSMN1; SMN2MAPK9
SCHEMBL29769098 0.82 ALDH1A1 (0.63) MAPTALDH1A1NPSR1HTTSMN1; SMN2
SCHEMBL4162412 0.81 ALDH1A1 (0.51) MAPTALDH1A1NPSR1HTTSMN1; SMN2
Bicarbonate SCHEMBL3549019 0.80 KMT2A (0.62) MAPTALDH1A1NPSR1HTTSMN1; SMN2

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 2743/4885NPSR1 4257/4885

“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.