SCHEMBL5318384

SCHEMBL5318384

Cc1nc(C)c(-c2cc(Oc3ccc(N)cc3)ncn2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.45
CDK2 P24941 3/20 0.45
AURKA O14965 1/20 0.45
CDK1 P06493 1/20 0.45
CDK7 P50613 1/20 0.45
CDK9 P50750 1/20 0.45
CCNE1 P24864 1/20 0.45
NPC1 O15118 3/20 0.43
MEN1 O00255 3/20 0.43
GAA P10253 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
COMT P21964 5/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL5316392 0.86 CDK4 (0.47) CDK4CDK2AURKACDK1CDK7
SCHEMBL4795754 0.73 SMN1; SMN2 (0.48) NPC1MEN1GAAKMT2ASMN1; SMN2
SCHEMBL5336929 0.71 SMN1; SMN2 (0.42) NPC1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL5428222 0.71 ABL1 (0.48) NPC1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL5450758 0.70 NPC1 (0.44) NPC1MEN1GAAKMT2AHTT
SCHEMBL5429409 0.69 SMN1; SMN2 (0.47) NPC1MEN1GAAKMT2ASMN1; SMN2
SCHEMBL1892882 0.69 ALDH1A1 (0.48) NPC1MEN1GAAKMT2ASMN1; SMN2
SCHEMBL5352893 0.68 CDK2 (0.45) CDK4CDK2AURKACDK1CDK7
SCHEMBL5460155 0.68 SMN1; SMN2 (0.44) NPC1MEN1GAAKMT2ASMN1; SMN2
SCHEMBL22130327 0.67 JAK2 (0.55) CDK4CDK2AURKACDK1CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
WO-2007076473-A2 SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 WO disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US 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-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES BRAF, ARAF, RAF1 CDK4 57/4885CDK2 8/4885AURKA 921/4885

“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.