SCHEMBL4161901

SCHEMBL4161901

N=C(N)NC(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.53
▸ CNR2 P34972 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPK8 P45983 1/20 0.50
▸ EGFR P00533 1/20 0.50
▸ ERBB2 P04626 1/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ CRHBP P24387 2/20 0.48
▸ CRHR2 Q13324 2/20 0.48
▸ CA12 O43570 2/20 0.48
▸ CA1 P00915 2/20 0.48

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
SCHEMBL12505834 0.82 GAA (0.56) LMNAALDH1A1MAPK8EGFRERBB2
SCHEMBL3269788 0.81 MEN1 (0.57) LMNACNR2ALDH1A1MAPK8MEN1
SCHEMBL10926979 0.79 POLB (0.53) LMNACNR2ALDH1A1EGFRERBB2
SCHEMBL4162497 0.78 HTT (0.65) LMNACNR2ALDH1A1MAPK8EGFR
Hydrochloric Acid SCHEMBL10990135 0.78 POLB (0.51) LMNACNR2ALDH1A1EGFRERBB2
SCHEMBL8207778 0.78 ALDH1A1 (0.57) LMNACNR2ALDH1A1EGFRERBB2
SCHEMBL965837 0.77 LMNA (0.59) LMNACNR2ALDH1A1EGFRERBB2
SCHEMBL10929542 0.77 KMT2A (0.51) LMNACNR2ALDH1A1EGFRERBB2
SCHEMBL4167897 0.77 KMT2A (0.54) ALDH1A1MAPK8MEN1KMT2AHTT
SCHEMBL10929986 0.76 CNR2 (0.53) LMNACNR2ALDH1A1EGFRERBB2

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 LMNA 1768/4885CNR2 2884/4885ALDH1A1 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.

Send feedback