SCHEMBL9928604

SCHEMBL9928604

CCc1cc(F)cc(CN(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 2/20 0.38
GSR P00390 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
TAAR1 Q96RJ0 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
G6PD P11413 1/20 0.37
PABPC1 P11940 1/20 0.37
KMT2A Q03164 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL14228540 0.89 ALDH1A1 (0.46) ALDH1A1LMNATSHRGAAGSR
SCHEMBL14614188 0.86 ALDH1A1 (0.44) ALDH1A1LMNATSHRGAAGSR
SCHEMBL12658317 0.83 LMNA (0.41) LMNATAAR1L3MBTL1IDO1
SCHEMBL23360881 0.81 LOXL2 (0.38) ALDH1A1LMNATSHRGAAGSR
SCHEMBL6122351 0.81 CYP4F2 (0.44) ALDH1A1LMNATSHRGAAGSR
SCHEMBL23656146 0.78 ALDH1A1 (0.42) ALDH1A1LMNATSHRGAAGSR
SCHEMBL148110 0.78 IDO1 (0.46) LMNAL3MBTL1IDO1
SCHEMBL2528801 0.78 ALDH1A1 (0.55) ALDH1A1LMNATSHRGAAGSR
SCHEMBL9927095 0.78 GSR (0.43) ALDH1A1LMNATSHRGAAGSR
SCHEMBL15078647 0.78 TACR1 (0.41) ALDH1A1LMNATSHRGAAGSR

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 ALDH1A1 3852/4885LMNA 3700/4885TSHR 1838/4885
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 ALDH1A1 3935/4885LMNA 3857/4885TSHR 2068/4885

“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.