SCHEMBL4487429

SCHEMBL4487429

CCc1cccc(OCC#N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SOD1 P00441 1/20 0.48
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FFAR1 O14842 1/20 0.44
POLB P06746 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
SLC2A1 P11166 1/20 0.41
GAA P10253 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40

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
SCHEMBL16502341 0.83 ALDH1A1 (0.54) KDM4EALDH1A1SMN1; SMN2SOD1MAPK1
SCHEMBL509575 0.82 FFAR1 (0.48) KDM4EALDH1A1SMN1; SMN2L3MBTL1TSHR
SCHEMBL14122832 0.82 FFAR1 (0.44) KDM4EALDH1A1SMN1; SMN2L3MBTL1FFAR1
SCHEMBL13185268 0.82 MAOB (0.49) KDM4EALDH1A1SMN1; SMN2SOD1MAPK1
SCHEMBL4850094 0.82 TSHR (0.49) SMN1; SMN2TSHRFFAR1
SCHEMBL4849887 0.82 FFAR1 (0.44) KDM4EALDH1A1SMN1; SMN2L3MBTL1TSHR
SCHEMBL9571992 0.82 SOD1 (0.55) KDM4EALDH1A1SMN1; SMN2SOD1MAPK1
SCHEMBL31391955 0.82 FFAR1 (0.44) KDM4EALDH1A1SMN1; SMN2L3MBTL1FFAR1
Hydrochloric Acid SCHEMBL25369506 0.81 MAOB (0.46) FFAR1
SCHEMBL21974573 0.81 MEN1 (0.63) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10639310-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2020-05-05 US disclosed
US-20190125750-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2019-05-02 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
EP-0887346-B1 N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists HOFFMANN LA ROCHE (CH) 2007-12-12 EP 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-10639310-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 KDM4E 528/4885ALDH1A1 3413/4885SMN1; SMN2 3741/4885
US-20190125750-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 KDM4E 528/4885ALDH1A1 3413/4885SMN1; SMN2 3741/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK KDM4E 1791/4885ALDH1A1 780/4885SMN1; SMN2 3820/4885

“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.