SCHEMBL14677753

SCHEMBL14677753

Cc1ccc(C#N)c(N(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
AR P10275 9/20 0.40
CYP2A6 P11509 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CDC42BPA Q5VT25 1/20 0.37
CDC42BPB Q9Y5S2 1/20 0.37
TSHR P16473 2/20 0.35
PKM P14618 1/20 0.35
XDH P47989 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL31484769 0.86 AR (0.37) ALDH1A1KDM4EGAAMAPTAR
SCHEMBL12310789 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMAPTAR
SCHEMBL1628853 0.78 ALDH1A1 (0.37) ALDH1A1KDM4EGAAAR
SCHEMBL10111169 0.78 ALDH1A1 (0.33) ALDH1A1KDM4EGAAMAPTCYP2A6
SCHEMBL23018176 0.78 KMT2A (0.46) ALDH1A1KDM4EGAAMAPTCYP2A6
SCHEMBL21741566 0.78 KDM4E (0.44) ALDH1A1KDM4EGAAMAPTROCK2
SCHEMBL20767052 0.78 MAPT (0.44) ALDH1A1KDM4EGAAMAPTAR
SCHEMBL1627549 0.76 PTPN1 (0.36) ALDH1A1KDM4EGAAARCYP2A6
SCHEMBL15831835 0.76 PKM (0.40) ALDH1A1KDM4EGAAMAPTAR
SCHEMBL31652674 0.76 PTPN1 (0.36) ALDH1A1KDM4EGAAARCYP2A6

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
US-20140315881-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-10-23 US disclosed
US-20140155381-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-06-05 US disclosed
US-20140155381-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-06-05 US disclosed
US-20140155381-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-06-05 US disclosed
EP-2736332-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2014-06-04 EP disclosed
EP-2736330-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2014-06-04 EP disclosed
WO-2013019653-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-02-07 WO disclosed
WO-2013019653-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-02-07 WO disclosed
WO-2013019682-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-02-07 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 (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-20140155381-A1 COMPOUNDS AND METHODS RORC, RORB, RORA ALDH1A1 820/4885KDM4E 1952/4885GAA 1822/4885
US-20140315881-A1 COMPOUNDS AND METHODS RORC, RORB, RORA ALDH1A1 820/4885KDM4E 1952/4885GAA 1822/4885

“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.