SCHEMBL9928613

SCHEMBL9928613

CCc1ccc(N(C)C)c(C#N)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 7/20 0.37
LMNA P02545 4/20 0.37
NPSR1 Q6W5P4 3/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 10/20 0.35
KDM4E B2RXH2 5/20 0.35
GAA P10253 4/20 0.35
GPR55 Q9Y2T6 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
GFER P55789 1/20 0.34
HTT P42858 2/20 0.33
CXCR2 P25025 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL24114356 0.87 MAPT (0.37) MAPTSMN1; SMN2HPGDLMNANPSR1
SCHEMBL9927073 0.82 MAPT (0.36) MAPTSMN1; SMN2HPGDLMNANPSR1
SCHEMBL22155229 0.78 CXCR2 (0.35) MAPTSMN1; SMN2HPGDLMNAPOLB
SCHEMBL12326880 0.77 MAPT (0.41) MAPTSMN1; SMN2HPGDLMNANPSR1
SCHEMBL20283896 0.75 S1PR1 (0.35) MAPTSMN1; SMN2HPGDLMNAL3MBTL1
SCHEMBL1591771 0.75 MAPT (0.38) MAPTSMN1; SMN2HPGDLMNANPSR1
SCHEMBL14273531 0.72 ALDH1A1 (0.40) MAPTSMN1; SMN2HPGDLMNANPSR1
SCHEMBL12263092 0.72 MAPT (0.38) MAPTSMN1; SMN2HPGDLMNANPSR1
SCHEMBL7975202 0.70 CYP2A6 (0.42) MAPTSMN1; SMN2HPGDLMNAMAPK1
SCHEMBL16122697 0.69 AR (0.35) MAPTSMN1; SMN2HPGDLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-06-30 US disclosed
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2015-03-26 US disclosed
US-8933085-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidine derivatives as JAK inhibitors INCYTE CORPORATION (US) 2015-01-13 US disclosed
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-06-14 US disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 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 (6 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-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 MAPT 19/4885SMN1; SMN2 2187/4885HPGD 2424/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 MAPT 19/4885SMN1; SMN2 2187/4885HPGD 2424/4885
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 MAPT 4442/4885SMN1; SMN2 4468/4885HPGD 2371/4885
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 MAPT 4511/4885SMN1; SMN2 4536/4885HPGD 2234/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 MAPT 19/4885SMN1; SMN2 2187/4885HPGD 2424/4885
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors JAK1, JAK2, JAK3 MAPT 4397/4885SMN1; SMN2 3836/4885HPGD 3076/4885

“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.