SCHEMBL4811995

SCHEMBL4811995

COC(=O)c1cc2c(CCl)cn(Cc3ccc(F)cc3F)c2cn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.39
PDE10A Q9Y233 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
PPARG P37231 5/20 0.36
P2RX7 Q99572 1/20 0.36
ALKBH1 Q13686 1/20 0.36
F2RL3 Q96RI0 2/20 0.35
MAPK14 Q16539 1/20 0.35
MAPT P10636 2/20 0.35
HDAC1 Q13547 1/20 0.35
TP53 P04637 1/20 0.35
MET P08581 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
SCHEMBL4799336 0.89 MAPT (0.42) MAPTTP53
SCHEMBL4802055 0.88 FSCN1 (0.38) FSCN1PDE10APTGDR2PPARGALKBH1
SCHEMBL4804162 0.86 FSCN1 (0.40) FSCN1PDE10APTGDR2PPARGALKBH1
SCHEMBL4808461 0.85 SMN1; SMN2 (0.47) FSCN1PDE10APTGDR2PPARGMAPT
SCHEMBL4803688 0.85 FSCN1 (0.39) FSCN1PDE10APTGDR2PPARGALKBH1
SCHEMBL4806877 0.84 FSCN1 (0.39) FSCN1PTGDR2PPARGMAPT
SCHEMBL5258224 0.81 DDR1 (0.36) FSCN1PDE10APPARGP2RX7F2RL3
SCHEMBL2943369 0.81 CNR2 (0.43) FSCN1PTGDR2F2RL3MAPT
SCHEMBL2946889 0.81 FSCN1 (0.42) FSCN1PDE10APTGDR2PPARGALKBH1
SCHEMBL2943243 0.80 ALDH1A1 (0.40) FSCN1PDE10APTGDR2ALKBH1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US disclosed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 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-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP FSCN1 4841/4885PDE10A 2565/4885PTGDR2 4540/4885

“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.