SCHEMBL2932201

SCHEMBL2932201

CCCN(CCC)c1cc2[nH]c(Nc3ncccc3C)nc2cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.44
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
SORT1 Q99523 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DDX3X O00571 1/20 0.35
DHODH Q02127 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
ABL1 P00519 1/20 0.35
SLC7A11 Q9UPY5 1/20 0.35

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
SCHEMBL2931133 0.96 CRHR1 (0.41) CRHR1LMNAGAAMEN1NPC1
SCHEMBL2924961 0.92 LMNA (0.39) LMNAGAAMEN1NPC1MAPT
SCHEMBL2930800 0.90 SORT1 (0.38) CRHR1LMNAGAAMEN1NPC1
SCHEMBL2933103 0.88 NPC1 (0.37) CRHR1LMNAGAAMEN1NPC1
SCHEMBL2929182 0.88 GAA (0.39) LMNAGAAMEN1NPC1MAPT
SCHEMBL2929442 0.87 GAA (0.41) LMNAGAAMEN1NPC1MAPT
SCHEMBL2925821 0.82 DHODH (0.39) MEN1MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL2931803 0.80 RAF1 (0.42) LMNAMEN1KMT2ADHODHCYP1A2
SCHEMBL2931752 0.77 LMNA (0.39) LMNAGAAMEN1NPC1MAPT
SCHEMBL2928418 0.77 RAF1 (0.48) CRHR1KMT2ADDX3X

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-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 US disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 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-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB CRHR1 4786/4885LMNA 1520/4885GAA 1732/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB CRHR1 4786/4885LMNA 1520/4885GAA 1732/4885

“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.