SCHEMBL2934338

SCHEMBL2934338

CN1CCN(c2cc3[nH]c(Nc4cc(F)cc(F)c4)nc3cc2C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
KCNH2 Q12809 3/20 0.38
DDX3X O00571 1/20 0.38
OPRL1 P41146 1/20 0.37
PIK3CA P42336 1/20 0.36
POLB P06746 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
EGFR P00533 1/20 0.35
PTGES O14684 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
NTRK1 P04629 1/20 0.34
ALK Q9UM73 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
SCHEMBL14693584 0.88 PIK3CA (0.48) PIK3CDPIK3CBMTORDDX3XPIK3CA
SCHEMBL2931516 0.80 KCNH2 (0.39) HRH4PIK3CDPIK3CBMTORKCNH2
SCHEMBL2930228 0.80 KCNH2 (0.39) HRH4PIK3CDPIK3CBMTORKCNH2
SCHEMBL2925671 0.79 RAF1 (0.46) POLBTP53MAPTPTGESLMNA
SCHEMBL2931586 0.79 KDM1A (0.49) HRH4POLBMEN1LMNAKMT2A
SCHEMBL2929163 0.78 RIPK1 (0.43) HRH4
SCHEMBL2930975 0.78 MEN1 (0.38) HRH4PIK3CDPIK3CBMTORKCNH2
SCHEMBL2932279 0.78 KCNH2 (0.37) HRH4PIK3CDPIK3CBMTORKCNH2
SCHEMBL2929641 0.78 KCNH2 (0.41) HRH4KCNH2MAPTMEN1LMNA
SCHEMBL2925852 0.77 DRD3 (0.37) HRH4PIK3CDPIK3CBMTORKCNH2

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 HRH4 2428/4885PIK3CD 59/4885PIK3CB 32/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB HRH4 2428/4885PIK3CD 59/4885PIK3CB 32/4885

“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.