SCHEMBL22553536

SCHEMBL22553536

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.40
JAK3 P52333 3/20 0.40
JAK2 O60674 2/20 0.40
TYK2 P29597 2/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
SYK P43405 2/20 0.38
PGR P06401 2/20 0.35
NR3C2 P08235 2/20 0.35
AR P10275 2/20 0.35
NR3C1 P04150 1/20 0.35
MAPK8 P45983 1/20 0.35
AHR P35869 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
MERTK Q12866 1/20 0.34
PDE4B Q07343 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
SCHEMBL22553584 0.89 JAK1 (0.40) JAK1JAK3JAK2TYK2RAB9A
SCHEMBL22860689 0.85 ALDH1A1 (0.54) RAB9ANPC1SYKALDH1A1MEN1
SCHEMBL30839178 0.85 ALDH1A1 (0.54) RAB9ANPC1SYKALDH1A1MEN1
SCHEMBL19857368 0.82 JAK1 (0.36) JAK1JAK3JAK2TYK2PGR
SCHEMBL19857360 0.82 JAK1 (0.36) JAK1JAK3JAK2TYK2PGR
SCHEMBL2622287 0.80 MEN1 (0.49) RAB9ANPC1SYKMAPK8ALDH1A1
SCHEMBL31360665 0.80 MEN1 (0.49) RAB9ANPC1SYKMAPK8ALDH1A1
SCHEMBL19857380 0.80 HTT (0.40) JAK1JAK3JAK2TYK2PGR
SCHEMBL29594214 0.80 HTT (0.40) JAK1JAK3JAK2TYK2PGR
SCHEMBL29507789 0.80 HTT (0.40) JAK1JAK3JAK2TYK2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3956031-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH Pfizer Inc. (US) 2022-02-23 EP disclosed
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-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
WO-2020212865-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH PFIZER INC. (US) 2020-10-22 WO 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.