SCHEMBL4143772

SCHEMBL4143772

Nc1cc2c(C=Cc3cccs3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.32
MAPT P10636 2/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL4143770 1.00 GRM4 (0.32) GRM4MAPTLMNAPOLBHPGD
SCHEMBL4137835 0.86 NFE2L2 (0.36) GRM4MAPTLMNAPOLBKMT2A
SCHEMBL4137829 0.86 NFE2L2 (0.36) GRM4MAPTLMNAPOLBKMT2A
SCHEMBL4144879 0.85 LMNA (0.35) MAPTLMNAPOLBHPGDHTT
SCHEMBL4144882 0.85 LMNA (0.35) MAPTLMNAPOLBHPGDHTT
SCHEMBL4154453 0.84 MAOA (0.37) MAPTLMNAPOLBHPGDHTT
SCHEMBL4154456 0.84 MAOA (0.37) MAPTLMNAPOLBHPGDHTT
SCHEMBL4149708 0.83 NFE2L2 (0.37) MAPTKMT2ANPC1GAARAB9A
SCHEMBL4149703 0.83 NFE2L2 (0.37) MAPTKMT2ANPC1GAARAB9A
SCHEMBL4154628 0.82 NFE2L2 (0.35) RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B GRM4 1775/4885MAPT 2811/4885LMNA 3403/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B GRM4 1386/4885MAPT 3014/4885LMNA 3498/4885

“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.