SCHEMBL19661652

SCHEMBL19661652

CCCNC(=O)Nc1cnc(-c2cccc(C3CC3)c2)c(-c2ccc(N)c(C=N)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.38
▸ ITGB3 P05106 5/20 0.35
▸ ITGAV P06756 5/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ KDR P35968 2/20 0.34
▸ RAF1 P04049 4/20 0.34
▸ BRAF P15056 2/20 0.34
▸ PRKCI P41743 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ PTPN7 P35236 1/20 0.32

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
SCHEMBL18306301 0.88 DHODH (0.42) DHODHRAF1BRAFPRKCIMAPK1
SCHEMBL18306335 0.81 DHODH (0.38) DHODHMAPK1
SCHEMBL18712023 0.80 ROCK2 (0.42) DHODHCDK8
SCHEMBL17177314 0.79 DHODH (0.36) DHODH
SCHEMBL17177309 0.78 DHODH (0.33) DHODH
SCHEMBL19661563 0.73 MEN1 (0.40) MAPTKDRRAF1BRAFMAPK1
SCHEMBL18306347 0.69 ADORA2B (0.34) —
SCHEMBL18306350 0.68 TGFBR1 (0.39) HDAC3HDAC1HDAC2KDRCDK8
SCHEMBL17177311 0.67 BTK (0.41) MAPTRAF1MAPK1
SCHEMBL18712089 0.67 ROCK1 (0.46) KDRCDK8

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-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2019-03-19 — — US disclosed
US-20170342048-A1 GDF-8 Inhibitors MIDCAP FINANCIAL TRUST 2017-11-30 — — 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-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use TGFBR1, TGFBR2, ACVR1 DHODH 1945/4885ITGB3 462/4885ITGAV 1297/4885
US-20170342048-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 DHODH 4754/4885ITGB3 1957/4885ITGAV 2534/4885

“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.

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