SCHEMBL4094488

SCHEMBL4094488

FC(F)(F)c1cc2[nH]c3ncnc(N4CCNCC4)c3c2cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.41
EPHX2 P34913 1/20 0.41
MAP2K7 O14733 2/20 0.41
AKT1 P31749 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CHEK1 O14757 2/20 0.38
CHEK2 O96017 2/20 0.38
HRH4 Q9H3N8 3/20 0.38
ADRB2 P07550 1/20 0.38
HTT P42858 1/20 0.37
ENPP1 P22413 1/20 0.36

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
SCHEMBL4082605 0.84 KIT (0.41) MAP2K7LMNAENPP1
SCHEMBL4082603 0.83 KRAS (0.44) MAP2K7AKT1ENPP1
SCHEMBL4086517 0.77 MAP2K7 (0.57) HTR2CMAP2K7AKT1CYP1A2CYP2C19
SCHEMBL13938401 0.77 KIT (0.49) LMNA
SCHEMBL13961527 0.77 KIT (0.49) LMNA
SCHEMBL14196555 0.77 KIT (0.51) LMNA
SCHEMBL5123678 0.76 LRRK2 (0.44) HTR2CMAP2K7AKT1
SCHEMBL13938382 0.75 KIT (0.51) AKT1LMNA
SCHEMBL14196197 0.75 KIT (0.49) LMNA
SCHEMBL13938544 0.74 KIT (0.57) LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029982-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2009-01-29 US disclosed
US-20080207632-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-08-28 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-20080207632-A1 PROTEIN KINASE INHIBITORS ERBB3, ERBB2, AXL HTR2C 3071/4885EPHX2 2510/4885MAP2K7 175/4885
US-20090029982-A1 PROTEIN KINASE INHIBITORS CDK2, PACSIN2, AKT1 HTR2C 2345/4885EPHX2 2458/4885MAP2K7 112/4885

“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.