SCHEMBL21163708

SCHEMBL21163708

Cn1nc(C#CC2CCCCCCCC2)c(C(N)=O)c1N

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.34
FGFR1 P11362 7/20 0.34
FGFR4 P22455 7/20 0.34
FGFR2 P21802 4/20 0.33
FGFR3 P22607 3/20 0.33
EGFR P00533 1/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PRKD1 Q15139 1/20 0.31
PDE4D Q08499 2/20 0.31
PDE7A Q13946 2/20 0.31
KCNH2 Q12809 1/20 0.31
CYP1A2 P05177 1/20 0.30
GRM5 P41594 1/20 0.30
PDPK1 O15530 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
SCHEMBL24975582 1.00 RET (0.34) RETFGFR1FGFR4FGFR2FGFR3
SCHEMBL22605599 1.00 RET (0.34) RETFGFR1FGFR4FGFR2FGFR3
SCHEMBL22605320 0.85 EGFR (0.33) RETFGFR1FGFR4FGFR2FGFR3
SCHEMBL24975581 0.85 EGFR (0.33) RETFGFR1FGFR4FGFR2FGFR3
SCHEMBL23961759 0.85 EGFR (0.33) RETFGFR1FGFR4FGFR2FGFR3
SCHEMBL22605321 0.84 PRKD1 (0.33) RETFGFR1FGFR4FGFR2FGFR3
SCHEMBL22605600 0.84 PRKD1 (0.33) RETFGFR1FGFR4FGFR2FGFR3
SCHEMBL19993616 0.77 PRKD1 (0.35) EGFRFFAR1FFAR4PRKD1KCNH2
SCHEMBL21163707 0.75 CTSK (0.33) KCNH2CYP1A2GRM5
SCHEMBL1814028 0.73 RET (0.42) RETPDE4DPDE7AKCNH2PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210332027-A1 ALKYNYL-SUBSTITUTED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-10-28 US disclosed
US-10710981-B2 Alkynyl-substituted heterocyclic compound, preparation method therefor and medical use thereof BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2020-07-14 US disclosed
US-20190210997-A1 ALKYNYL-SUBSTITUTED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2019-07-11 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 (3 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-20190210997-A1 ALKYNYL-SUBSTITUTED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF FGFR1, FGFR4, FGFR3 RET 37/4885FGFR1 1/4885FGFR4 2/4885
US-10710981-B2 Alkynyl-substituted heterocyclic compound, preparation method therefor and medical use thereof FGFR1, FGFR4, FGFR3 RET 37/4885FGFR1 1/4885FGFR4 2/4885
US-20210332027-A1 ALKYNYL-SUBSTITUTED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF FGFR1, FGFR4, FGFR3 RET 37/4885FGFR1 1/4885FGFR4 2/4885

“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.