SCHEMBL18403274

SCHEMBL18403274

CS(C)(C)CCOCN1C(=O)Cc2cc(Br)cnc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.40
BMPR1B O00238 2/20 0.31
BMPR1A P36894 2/20 0.31
TGFBR1 P36897 2/20 0.31
ACVRL1 P37023 2/20 0.31
ACVR1 Q04771 2/20 0.31
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL722905 0.84 PDE4B (0.37) PDE4B
SCHEMBL20007553 0.79 ADRA2A (0.35)
SCHEMBL21001814 0.76 BMPR1B (0.42) PDE4BBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30404865 0.76 BMPR1B (0.42) PDE4BBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL19588445 0.75
SCHEMBL18403229 0.75
SCHEMBL25570146 0.71
SCHEMBL8137963 0.69 HSD17B10 (0.41) PDE4BBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL15207117 0.69 KMT2A (0.52) KDM4EHSD17B10
SCHEMBL18673407 0.68 HSD17B10 (0.31) HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10028942-B2 3-substituted pyrazoles and uses thereof GENENTECH, INC. (US) 2018-07-24 US disclosed
US-9814704-B2 Substituted pyrrolo[2,3-b]pyridines as MLK inhibitors THE UNIVERSITY OF ROCHESTER (US) 2017-11-14 US disclosed
US-20170087137-A1 3-SUBSTITUTED PYRAZOLES AND USES THEREOF GENENTECH, INC. (US) 2017-03-30 US disclosed
US-9550777-B2 3-substituted pyrazoles and use as DLK inhibitors GENENTECH, INC. (US) 2017-01-24 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-20170087137-A1 3-SUBSTITUTED PYRAZOLES AND USES THEREOF PDXK, NLK, PDK3 PDE4B 607/4885BMPR1B 3853/4885BMPR1A 4194/4885
US-10028942-B2 3-substituted pyrazoles and uses thereof PDXK, NLK, PDK3 PDE4B 607/4885BMPR1B 3853/4885BMPR1A 4194/4885

“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.