SCHEMBL564934

SCHEMBL564934

CCC(C(=O)O)n1cc(C#N)nn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP19A1 P11511 5/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
HCAR3 P49019 2/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL1155990 0.78 KDM4E (0.39) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL10675822 0.76 KDM4E (0.38) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL10683763 0.75 NOTUM (0.41) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL564944 0.73 KDM4C (0.34) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL1589398 0.70 MAPK1 (0.34) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL12984115 0.69 BCHE (0.40) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL12985281 0.67 HSD17B1 (0.48) CYP19A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3508024 0.66 JAK2 (0.36) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL4295418 0.66 STAT3 (0.36) ALDH1A1MAPK1CYP19A1CTSSCTSK
SCHEMBL1646427 0.65 HDAC3 (0.37) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2

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-20120035151-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE BAYER HARMA AKTIENGESELLSCHAFT (DE) 2012-02-09 US disclosed
US-8067407-B2 Substituted dihydropyrazolones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-29 US disclosed
US-6277999-B1 AS CHEMICAL INTERMEDIATE FOR PREPARATION OF DRUGS NOVARTIS AG (CH) 2001-08-21 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-20120035151-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE GLS, ATP6V1B1, PFKP KDM4E 2151/4885ALDH1A1 454/4885HPGD 70/4885

“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.