SCHEMBL4172379

SCHEMBL4172379

N=C(N)Nc1cccc(N2CCOCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
POLB P06746 3/20 0.50
CASP3 P42574 1/20 0.50
CASP7 P55210 1/20 0.50
SETD2 Q9BYW2 2/20 0.49
KMO O15229 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TTBK1 Q5TCY1 1/20 0.47
TTBK2 Q6IQ55 1/20 0.47
AGXT P21549 1/20 0.47
PIM1 P11309 1/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
MCL1 Q07820 1/20 0.46
LGMN Q99538 1/20 0.45

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
SCHEMBL3496105 0.85 KMO (0.56) MAPTMEN1KMT2APOLBCASP3
SCHEMBL1592539 0.84 MAPT (0.58) MAPTMEN1KMT2APOLBHDAC6
SCHEMBL18743036 0.83 MAPT (0.49) MAPTMEN1KMT2APOLBCASP3
SCHEMBL3966558 0.82 ADRA2C (0.55) MAPTMEN1KMT2APOLBCASP3
SCHEMBL27114834 0.82 HTR6 (0.51) MAPTHTTHDAC4MEF2DALDH1A1
SCHEMBL2087362 0.81 LMNA (0.55) MAPTMEN1KMT2APOLBCASP3
SCHEMBL16583818 0.81 KMO (0.61) MAPTMEN1KMT2APOLBCASP3
SCHEMBL19623431 0.80 HDAC1 (0.56) MAPTMEN1KMT2APOLBCASP3
Hydrochloric Acid SCHEMBL2086926 0.80 LMNA (0.53) MAPTMEN1KMT2APOLBCASP3
SCHEMBL4644779 0.79 JAK2 (0.61) MAPTMEN1KMT2APOLBCASP3

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 2054/4885MEN1 2980/4885KMT2A 1239/4885

“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.