SCHEMBL4848849

SCHEMBL4848849

CNCCCn1nc(N2C(=O)C=CC2=O)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GLS O94925 1/20 0.37
CDK4 P11802 2/20 0.36
PRKACA P17612 2/20 0.36
PRKACG P22612 2/20 0.36
PRKACB P22694 2/20 0.36
CCND1 P24385 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
PARP1 P09874 1/20 0.35
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CNR2 P34972 7/20 0.35
CNR1 P21554 6/20 0.35
MGLL Q99685 1/20 0.35
HTR3A P46098 1/20 0.34

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
SCHEMBL4850204 0.82 GSK3B (0.46) KDM4EPRKACAPRKACGPRKACBSLC6A2
SCHEMBL4843346 0.82 MPO (0.42) KDM4ETSHRHSD17B10GLSCDK4
SCHEMBL4849894 0.80 MEN1 (0.42) KDM4ETSHRHSD17B10GLSPARP1
SCHEMBL4851450 0.79 GSK3B (0.44) KDM4EHSD17B10DRD2HTR2AKCNH2
SCHEMBL4852119 0.79 TOP2A (0.42) KDM4EGLSSLC6A2SLC6A3CNR2
SCHEMBL4853486 0.79 BCHE (0.43) CNR2CNR1KCNH2
SCHEMBL4851848 0.76 KDM4E (0.46) KDM4EHSD17B10PARP1CNR2CNR1
SCHEMBL11832822 0.73 KDM4E (0.63) KDM4ETSHRHSD17B10GLSHTT
SCHEMBL31591483 0.68 ALDH1A1 (0.45) KDM4ETSHRHSD17B10GLSPARP1
SCHEMBL10369889 0.67 SLC6A4 (0.49) KDM4EHSD17B10SLC6A2SLC6A4HRH1

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-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-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 RXRA 4218/4885KDM4E 1504/4885TSHR 2821/4885

“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.