SCHEMBL1998629

SCHEMBL1998629

CN(C)/C=N\c1c(I)c(C#N)nn1-c1c(Cl)cc(OC(F)F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
NR1I2 O75469 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31

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
SCHEMBL1998631 1.00 MAPT (0.35) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL3110440 0.88 MAPT (0.35) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL3110434 0.88 MAPT (0.35) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL1752313 0.86 ALDH1A1 (0.34) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL1752314 0.86 ALDH1A1 (0.34) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL2002903 0.84 GABRP (0.33) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL2002905 0.84 GABRP (0.33) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL2004605 0.84 GABRP (0.31) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL2004607 0.84 GABRP (0.31) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL1752486 0.82 GABRB3 (0.45) MAPTALDH1A1HPGDTDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084486-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2011-12-27 US disclosed
US-20110196011-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2011-08-11 US disclosed
US-7960426-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2011-06-14 US disclosed
US-7902232-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2011-03-08 US disclosed
US-20090312371-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-20090137524-A1 SUBSTITUTED ARYLPYRAZOLES ZOETIS SERVICES LLC 2009-05-28 US disclosed
US-7514464-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2009-04-07 US disclosed
EP-1705989-B1 SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS PFIZER LTD (GB) 2008-11-12 EP disclosed
US-7435753-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2008-10-14 US disclosed
US-20060014802-A1 Substituted arylpyrazoles ZOETIS SERVICES LLC 2006-01-19 US disclosed
US-20050148649-A1 Substituted arylpyrazoles ZOETIS SERVICES LLC 2005-07-07 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 (5 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-20090137524-A1 SUBSTITUTED ARYLPYRAZOLES CYP4X1, EPX, CYP2C9 MAPT 4313/4885ALDH1A1 963/4885HPGD 3713/4885
US-20110196011-A1 SUBSTITUTED ARYLPYRAZOLES CYP4X1, EPX, CYP2C9 MAPT 4313/4885ALDH1A1 963/4885HPGD 3713/4885
US-20050148649-A1 Substituted arylpyrazoles CYP3A4, CYP4B1, CYP1B1 MAPT 2214/4885ALDH1A1 346/4885HPGD 3320/4885
US-20060014802-A1 Substituted arylpyrazoles CYP4X1, ARG1, CYP2C9 MAPT 3894/4885ALDH1A1 1045/4885HPGD 3861/4885
US-20090312371-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A43, CYP3A4, CYP4X1 MAPT 3612/4885ALDH1A1 358/4885HPGD 3269/4885

“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.