SCHEMBL16129100

SCHEMBL16129100

Cc1ccc(Nc2ccnc(Cl)n2)c(CC#N)c1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
SYK P43405 1/20 0.33
AURKA O14965 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
LCK P06239 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL16129203 0.78 CDK4 (0.34) MAPK14SYKAURKACYP1A2CYP3A4
SCHEMBL16129099 0.75 KDR (0.37) MAPK14SYKCYP1A2CYP3A4CYP2C19
SCHEMBL16129057 0.72 AURKA (0.39) SYKAURKACYP1A2CYP3A4CYP2C19
SCHEMBL22950960 0.72 MAPK14 (0.40) MAPK14PPARGPPARASYKAURKA
SCHEMBL27773155 0.72 MAPK14 (0.39) MAPK14PPARGPPARASYKAURKA
SCHEMBL5388892 0.70 MAPK14 (0.46) MAPK14SYKLCKALDH1A1
SCHEMBL15489512 0.69 MAPK10 (0.57) MAPK14SYK
SCHEMBL17260953 0.68 TNIK (0.43) MAPK14SYKCYP1A2CYP3A4CYP2C19
SCHEMBL3631100 0.68 MAPK14 (0.45) MAPK14SYKLCK
SCHEMBL23887607 0.67 SYK (0.42) SYKAURKALCKALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590932-B1 JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY INC (US) 2023-05-03 EP disclosed
US-20210070715-A1 JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE SUMITOMO PHARMA AMERICA, INC. 2021-03-11 US disclosed
US-10752594-B2 JAK1 and ALK2 inhibitors and methods for their use SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2020-08-25 US disclosed
US-20190119221-A1 JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE SUMITOMO PHARMA AMERICA, INC. 2019-04-25 US disclosed
US-10202356-B2 JAK2 and ALK2 inhibitors and methods for their use TOLERO PHARMACEUTICALS, INC. (US) 2019-02-12 US disclosed
US-20160214944-A1 JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE SUMITOMO PHARMA AMERICA, INC. 2016-07-28 US disclosed
US-20160214944-A1 JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE SUMITOMO PHARMA AMERICA, INC. 2016-07-28 US disclosed
WO-2014151871-A9 JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE TOLERO PHARMACEUTICALS, INC. (US) 2014-12-31 WO disclosed
WO-2014151871-A2 JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE TOLERO PHARMACEUTICALS, INC. (US) 2014-09-25 WO 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 (5 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-20210070715-A1 JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE ALK, JAK2, JAK1 MAPK14 581/4885PPARG 2544/4885PPARA 2468/4885
US-20160214944-A1 JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE ALK, JAK2, JAK1 MAPK14 546/4885PPARG 2505/4885PPARA 2755/4885
US-20190119221-A1 JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE ALK, JAK2, JAK1 MAPK14 581/4885PPARG 2544/4885PPARA 2468/4885
US-10202356-B2 JAK2 and ALK2 inhibitors and methods for their use ALK, JAK2, JAK1 MAPK14 581/4885PPARG 2544/4885PPARA 2468/4885
US-10752594-B2 JAK1 and ALK2 inhibitors and methods for their use ALK, JAK1, JAK2 MAPK14 436/4885PPARG 2809/4885PPARA 2683/4885

“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.