SCHEMBL19730079

SCHEMBL19730079

CNc1c(C(=O)O)cnn1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.41
KDM5A P29375 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
NR4A3 Q92570 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KAT2B Q92831 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HCAR3 P49019 1/20 0.34
GAA P10253 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
SCHEMBL15998476 0.83 ALDH1A1 (0.46) KDM4EALDH1A1KAT2BBRD9TDP1
SCHEMBL28396213 0.80 NR4A3 (0.43) KDM4CKDM5AKDM5BNR4A3KDM4E
SCHEMBL27919011 0.79 NR4A3 (0.36) KDM4CKDM5AKDM5BNR4A3KDM4E
SCHEMBL31352094 0.77 KDM4C (0.38) KDM4CNR4A3KDM4EALDH1A1TDP1
SCHEMBL4718250 0.75 KDM4C (0.38) KDM4CKDM5AKDM5BNR4A3KDM4E
SCHEMBL19730080 0.75 GABRA1 (0.33) KAT2BBRD9NPC1RAB9ASMN1; SMN2
SCHEMBL17853170 0.74 KDM4C (0.42) KDM4CKDM5AKDM5BNR4A3KDM4E
SCHEMBL4594824 0.74 LPAR1 (0.39) BRD9NPC1RAB9AMEN1KMT2A
SCHEMBL3519865 0.74 NR4A3 (0.59) NR4A3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7722135 0.74 KDM4E (0.41) KDM4CNR4A3KDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035774-B2 Pyrazolyl carboxylic acid and pyrazolyl urea derivative compounds MERCK SHARP & DOHME CORP. (US) 2018-07-31 US disclosed
US-20170362183-A1 PYRAZOLYL CARBOXYLIC ACID AND PYRAZOLYL UREA DERIVATIVE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-12-21 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 (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-20170362183-A1 PYRAZOLYL CARBOXYLIC ACID AND PYRAZOLYL UREA DERIVATIVE COMPOUNDS UROD, PEPD, CMPK1 KDM4C 2280/4885KDM5A 1623/4885KDM5B 1937/4885
US-10035774-B2 Pyrazolyl carboxylic acid and pyrazolyl urea derivative compounds UROD, PEPD, CMPK1 KDM4C 2280/4885KDM5A 1623/4885KDM5B 1937/4885

“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.