SCHEMBL1075141

SCHEMBL1075141

CC(=O)c1ccc(C#N)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CSF1R P07333 1/20 0.32
PGR P06401 3/20 0.31
GAA P10253 2/20 0.31
THRB P10828 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
ESR1 P03372 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
UPP1 Q16831 1/20 0.31

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
SCHEMBL5092251 0.81 HSD17B10 (0.40) ARMEN1KMT2AMAPTALDH1A1
SCHEMBL18744693 0.77 SMN1; SMN2 (0.36) KMT2AMAPTALDH1A1GAATHRB
SCHEMBL1074176 0.73 ALDH1A1 (0.50) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3293710 0.71
SCHEMBL13261240 0.69
SCHEMBL17195442 0.69 KDM4E (0.48) MAPTALDH1A1LMNACYP2C19
SCHEMBL4676785 0.67
SCHEMBL27912682 0.67 MAP2K1 (0.39) MAPTALDH1A1GAALMNAPOLB
SCHEMBL22641025 0.67
SCHEMBL6789604 0.66

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-20110263610-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2011-10-27 US disclosed
US-20110263610-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2011-10-27 US disclosed
EP-2274302-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2011-01-19 EP disclosed
WO-2009123948-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-10-08 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 (1 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-20110263610-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 AR 4770/4885MEN1 2678/4885KMT2A 2991/4885

“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.