SCHEMBL3044217

SCHEMBL3044217

CCc1ccc(N)c2c1CNC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.39
MAP3K9 P80192 3/20 0.37
MAP3K11 Q16584 3/20 0.37
CSF1R P07333 1/20 0.36
THRB P10828 1/20 0.34
PARP1 P09874 4/20 0.33
CHEK1 O14757 2/20 0.33
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
GLI1 P08151 1/20 0.33
GLI2 P10070 1/20 0.33
CDK4 P11802 1/20 0.33
PRKCA P17252 1/20 0.33
CTRB1 P17538 1/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
CCND1 P24385 1/20 0.33
PRKCH P24723 1/20 0.33

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
SCHEMBL21436497 0.81 THRB (0.42) KDRMAP3K9MAP3K11CSF1RTHRB
SCHEMBL3046629 0.79 MAP3K9 (0.37) KDRMAP3K9MAP3K11PARP1CHEK1
SCHEMBL3039573 0.79 KDR (0.43) KDRMAP3K9MAP3K11CSF1RTHRB
SCHEMBL20930991 0.77 HSP90AB1 (0.39) KDRMAP3K9MAP3K11PARP1CHEK1
SCHEMBL2527674 0.75 KDR (0.38) KDRMAP3K9MAP3K11CSF1RTHRB
SCHEMBL18863294 0.75 ADORA2A (0.41) KDRMAP3K9MAP3K11CSF1RTHRB
SCHEMBL3041897 0.75 PIM1 (0.49) KDRMAP3K9MAP3K11CSF1RTHRB
SCHEMBL3037894 0.71 KDR (0.36) KDRMAP3K9MAP3K11CSF1RTHRB
SCHEMBL23104503 0.71 KDR (0.39) KDRMAP3K9MAP3K11CSF1RTHRB
SCHEMBL18170563 0.71 KDR (0.61) KDRMAP3K9MAP3K11CSF1RPRKD3

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-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 KDR 3226/4885MAP3K9 3221/4885MAP3K11 3080/4885

“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.