SCHEMBL22553520

SCHEMBL22553520

C=C(OCC)c1c(C)c2cnc(SC)nc2n([C@@H]2CCC[C@]2(C)F)c1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 14/20 0.48
CDK4 P11802 14/20 0.48
CDK6 Q00534 11/20 0.48
CCND3 P30281 9/20 0.48
CDK2 P24941 9/20 0.41
CCNE1 P24864 5/20 0.41
CCND2 P30279 5/20 0.35
CCNA2 P20248 3/20 0.35
CCNA1 P78396 2/20 0.35
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CCNT1 O60563 1/20 0.33
CDK1 P06493 1/20 0.33
CDK9 P50750 1/20 0.33
USP19 O94966 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
SCHEMBL22553571 0.87 CCND1 (0.44) CCND1CDK4CDK6CCND3CDK2
SCHEMBL22553570 0.87 CCND1 (0.44) CCND1CDK4CDK6CCND3CDK2
SCHEMBL22553521 0.86 CCND1 (0.62) CCND1CDK4CDK6CCND3CDK2
SCHEMBL22553604 0.81 CCND1 (0.46) CCND1CDK4CDK6CCND3CDK2
SCHEMBL22553458 0.81 CCND1 (0.46) CCND1CDK4CDK6CCND3CDK2
SCHEMBL24618929 0.77 CDK4 (0.43) CCND1CDK4CCND3CDK2CCND2
SCHEMBL22553600 0.76 CDK4 (0.39) CCND1CDK4CDK6CCND3CDK2
SCHEMBL22553482 0.76 CCND1 (0.50) CCND1CDK4CDK6CCND3CDK2
SCHEMBL22553484 0.76 CCND1 (0.50) CCND1CDK4CDK6CCND3CDK2
SCHEMBL22553652 0.75 CCND1 (0.40) CCND1CDK4CDK6CCND3CDK2

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 CCND1 108/4885CDK4 219/4885CDK6 335/4885
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH EDNRB, EDNRA, PAH CCND1 108/4885CDK4 219/4885CDK6 335/4885

“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.