SCHEMBL4848432

SCHEMBL4848432

O=C1C=C(c2cn(-c3ccccn3)c3ccccc23)C(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.39
CCNT1 O60563 1/20 0.39
PIM1 P11309 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK9 P50750 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
HTR7 P34969 1/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
CAMK2D Q13557 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR3A P46098 4/20 0.36
GSK3B P49841 3/20 0.35
PRKCB P05771 1/20 0.35

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
SCHEMBL3600677 0.80 KDM4E (0.46) CDK2POLBALDH1A1GSK3BPRKCB
SCHEMBL1127976 0.79 GSK3B (0.56) CDK2CCNT1PIM1CCNA2CDK9
SCHEMBL6344338 0.76 GSK3B (0.41) CDK2CCNT1PIM1CCNA2CDK9
SCHEMBL6344642 0.75 PRKCB (0.49) GSK3BPRKCBPRKCAPRKCG
SCHEMBL29504831 0.74 CCNE2 (0.63) CDK2GSK3BPRKCACCNE2CDK4
SCHEMBL5879232 0.74 CCNE2 (0.63) CDK2GSK3BPRKCACCNE2CDK4
Hydrochloric Acid SCHEMBL29664072 0.73 CCNE2 (0.61) CDK2GSK3BPRKCACCNE2CDK4
SCHEMBL7524369 0.72 PRKCG (0.69) CDK2PIM1CDK9CAMK2DSMN1; SMN2
SCHEMBL2954257 0.71 GSK3B (0.43) CDK2GSK3BPRKCBPRKCACCNE2
SCHEMBL28101377 0.71 CDK4 (0.43) CDK2CCNT1PIM1CCNA2CDK9

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-7329657-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-02-12 US disclosed
US-7304060-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-12-04 US disclosed
US-6849643-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-02-01 US disclosed
US-20050004202-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors ZHANG HAN-CHENG (US) 2005-01-06 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-20050004202-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP2K3 CDK2 139/4885CCNT1 1938/4885PIM1 316/4885

“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.