SCHEMBL8977290

SCHEMBL8977290

Cc1ccc(C)c(-n2nn[nH]c2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
HCAR1 Q9BXC0 1/20 0.41
OPRM1 P35372 1/20 0.41
ALDH1A1 P00352 6/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
CNR2 P34972 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 2/20 0.37
MPI P34949 2/20 0.37

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
SCHEMBL8977342 0.87 NPSR1 (0.45) HSD17B10CDK4CCND1HCAR1OPRM1
SCHEMBL15352559 0.84 HTR7 (0.39) HSD17B10HCAR1ALDH1A1HTTLMNA
SCHEMBL17708421 0.81 TP53 (0.48) HSD17B10ALDH1A1HTTLMNATP53
SCHEMBL5906376 0.79 ALDH1A1 (0.44) HCAR1OPRM1ALDH1A1HTTLMNA
SCHEMBL19836631 0.79 SLC5A1 (0.34) LMNATP53CNR2KMT2ANPC1
SCHEMBL1946559 0.79 CYP3A4 (0.46) ALDH1A1LMNATSHRMAPK1HKDC1
SCHEMBL8688702 0.75 PDE9A (0.39) KDM4E
SCHEMBL5906191 0.75 ALDH1A1 (0.42) ALDH1A1HTTLMNATP53SMN1; SMN2
SCHEMBL19886225 0.75 CA12 (0.41) NPBWR1MCHR1
SCHEMBL8977221 0.75 SMN1; SMN2 (0.47) HCAR1ALDH1A1HTTLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180051006-A1 DIRECT AMPK ACTIVATORS MIDCAP FINANCIAL TRUST 2018-02-22 US disclosed
US-9682976-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
US-20160257681-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2016-09-08 US disclosed
US-9321763-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
EP-0708097-A1 Herbicidally active tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-04-24 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 (2 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-20180051006-A1 DIRECT AMPK ACTIVATORS PRKAA1, PRKAG1, PRKAB1 HSD17B10 2944/4885CDK4 289/4885CCND1 2669/4885
US-20160257681-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB HSD17B10 2599/4885CDK4 968/4885CCND1 4176/4885

“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.