SCHEMBL22553617

SCHEMBL22553617

CSc1ncc(C(C)=O)c(NC2CCC(NC(=O)O)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.46
MERTK Q12866 4/20 0.44
PDE4B Q07343 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PPARG P37231 1/20 0.41
FLT3 P36888 3/20 0.40
TYRO3 Q06418 3/20 0.40
GAS6 Q14393 3/20 0.40
AHR P35869 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL22553618 1.00 SYK (0.46) SYKMERTKPDE4BNPC1RAB9A
SCHEMBL31360665 0.87 MEN1 (0.49) SYKMERTKNPC1RAB9AALDH1A1
SCHEMBL2622287 0.87 MEN1 (0.49) SYKMERTKNPC1RAB9AALDH1A1
SCHEMBL15249748 0.84 SYK (0.51) SYKMERTKPDE4BPPARG
SCHEMBL28672168 0.81 SYK (0.47) SYKMERTKPDE4B
SCHEMBL21554053 0.81 SYK (0.50) SYKMERTKPDE4BPPARGFLT3
SCHEMBL15249749 0.81 SYK (0.65) SYK
SCHEMBL26931042 0.80 MERTK (0.57) SYKMERTKPPARGFLT3TYRO3
SCHEMBL26931049 0.80 MERTK (0.57) SYKMERTKPPARGFLT3TYRO3
SCHEMBL1226594 0.80 MEN1 (0.49) SYKMERTKPPARG

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-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

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 SYK 3397/4885MERTK 4262/4885PDE4B 352/4885
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH EDNRB, EDNRA, PAH SYK 3397/4885MERTK 4262/4885PDE4B 352/4885

“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.