SCHEMBL22553584

SCHEMBL22553584

CSc1ncc(C(C)=O)c(N[C@@H]2CCC[C@]2(C)F)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 10/20 0.40
JAK3 P52333 10/20 0.40
JAK2 O60674 3/20 0.40
TYK2 P29597 3/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SYK P43405 1/20 0.36
MAPK8 P45983 1/20 0.34
AHR P35869 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PDE4B Q07343 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL22553536 0.89 JAK1 (0.40) JAK1JAK3JAK2TYK2NPC1
SCHEMBL31360665 0.78 MEN1 (0.49) NPC1RAB9ASYKMAPK8ALDH1A1
SCHEMBL2622287 0.78 MEN1 (0.49) NPC1RAB9ASYKMAPK8ALDH1A1
SCHEMBL22585848 0.78 NPC1 (0.40) NPC1RAB9ASYKAHRALDH1A1
SCHEMBL22860427 0.74 SYK (0.55) NPC1RAB9ASYKALDH1A1MAPK1
SCHEMBL30839178 0.74 ALDH1A1 (0.54) NPC1RAB9ASYKALDH1A1MAPK1
SCHEMBL22860689 0.74 ALDH1A1 (0.54) NPC1RAB9ASYKALDH1A1MAPK1
SCHEMBL30517140 0.74 JAK3 (0.42) JAK1JAK3JAK2NPC1RAB9A
SCHEMBL22553618 0.72 SYK (0.46) NPC1RAB9ASYKAHRALDH1A1
SCHEMBL22553617 0.72 SYK (0.46) NPC1RAB9ASYKAHRALDH1A1

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
CN-114007697-A Antiproliferative agents for the treatment of PAH 辉瑞公司 2022-02-01 CN disclosed
US-11203594-B2 Anti-proliferative agents for treating PAH PFIZER INC. (US) 2021-12-21 US disclosed
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH PFIZER INC. (US) 2020-10-22 US disclosed
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH PFIZER INC. (US) 2020-10-22 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-11203594-B2 Anti-proliferative agents for treating PAH EDNRB, EDNRA, PAH JAK1 327/4885JAK3 700/4885JAK2 310/4885
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH EDNRB, EDNRA, PAH JAK1 327/4885JAK3 700/4885JAK2 310/4885

“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.