SCHEMBL16129203

SCHEMBL16129203

Cc1ccc(Nc2ccnc(Cl)n2)c(CC#N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.34
CDK2 P24941 2/20 0.34
PTGS2 P35354 3/20 0.33
SYK P43405 1/20 0.33
MAPK14 Q16539 1/20 0.33
AKT1 P31749 1/20 0.33
TGFBR1 P36897 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
STK4 Q13043 1/20 0.33
STK3 Q13188 1/20 0.33
BMPR2 Q13873 1/20 0.33
STK26 Q9P289 1/20 0.33
STK24 Q9Y6E0 1/20 0.33
HSD17B10 Q99714 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 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
SCHEMBL16129057 0.85 AURKA (0.39) CDK2SYKAKT1TGFBR1GSK3A
SCHEMBL16129099 0.78 KDR (0.37) CDK4CDK2SYKMAPK14AKT1
SCHEMBL16129100 0.78 MAPK14 (0.35) SYKMAPK14CYP1A2CYP3A4CYP2C19
SCHEMBL18386919 0.76 APP (0.40) CDK4CDK2SYKMAPK14CYP3A4
SCHEMBL5402771 0.76 RAB9A (0.44) CDK4CDK2SYKMAPK14CCNE1
SCHEMBL5388892 0.76 MAPK14 (0.46) CDK4CDK2SYKMAPK14HSD17B10
SCHEMBL658219 0.76 CDK4 (0.47) CDK4CDK2SYKMAPK14CYP1A2
SCHEMBL5261001 0.73 CDK4 (0.54) CDK4CDK2SYKMAPK14CCNE1
SCHEMBL7767558 0.73 CDK4 (0.42) CDK4CDK2KDM4ENPC1RAB9A
SCHEMBL3203509 0.69 ROCK1 (0.46) CDK2SYKAKT1TGFBR1GSK3A

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 CDK4 488/4885CDK2 147/4885PTGS2 1431/4885
US-20160214944-A1 JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE ALK, JAK2, JAK1 CDK4 459/4885CDK2 132/4885PTGS2 1234/4885
US-20190119221-A1 JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE ALK, JAK2, JAK1 CDK4 488/4885CDK2 147/4885PTGS2 1431/4885
US-10202356-B2 JAK2 and ALK2 inhibitors and methods for their use ALK, JAK2, JAK1 CDK4 488/4885CDK2 147/4885PTGS2 1431/4885
US-10752594-B2 JAK1 and ALK2 inhibitors and methods for their use ALK, JAK1, JAK2 CDK4 506/4885CDK2 215/4885PTGS2 1552/4885

“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.