SCHEMBL425574

SCHEMBL425574

COc1cc(NN)ccc1C#N

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 5/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.51
AR P10275 11/20 0.49
IMPDH1 P20839 3/20 0.47
PGR P06401 1/20 0.45
IDH1 O75874 2/20 0.44

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
Hydrochloric Acid SCHEMBL551861 0.98 IMPDH2 (0.51) IMPDH2ALDH1A1KDM4EUSP2AR
SCHEMBL7855001 0.89 ALDH1A1 (0.62) IMPDH2ALDH1A1KDM4EUSP2AR
Hydrochloric Acid SCHEMBL7874448 0.88 ALDH1A1 (0.60) IMPDH2ALDH1A1KDM4EUSP2AR
SCHEMBL18055564 0.84 IMPDH2 (0.54) IMPDH2ALDH1A1KDM4EUSP2AR
SCHEMBL30962445 0.84 IMPDH2 (0.54) IMPDH2ALDH1A1KDM4EUSP2AR
SCHEMBL18053160 0.79 AR (0.54) IMPDH2ALDH1A1KDM4EUSP2AR
SCHEMBL6505721 0.79 IMPDH2 (0.50) IMPDH2ALDH1A1KDM4EUSP2AR
SCHEMBL6154479 0.78 IMPDH2 (0.60) IMPDH2ALDH1A1ARIMPDH1PGR
SCHEMBL8215175 0.78 HPGD (0.46) ALDH1A1KDM4EAR
SCHEMBL5361380 0.77 MAPT (0.50) IMPDH2ALDH1A1KDM4EIMPDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417121-A1 4, 5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES Pfizer Inc. (US) 2012-02-15 EP disclosed
US-20120035131-A1 PYRAZOLINE COMPOUNDS PFIZER INC 2012-02-09 US disclosed
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. 2012-01-26 US disclosed
US-20100280016-A1 PYRAZOLINE COMPOUNDS PFIZER INC 2010-11-04 US disclosed
US-20100280016-A1 PYRAZOLINE COMPOUNDS PFIZER INC 2010-11-04 US disclosed
WO-2010116282-A1 4, 5-DIHYDRO-LH-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. (US) 2010-10-14 WO disclosed
US-7781428-B2 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents PFIZER INC. (US) 2010-08-24 US disclosed
US-7781428-B2 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents PFIZER INC. (US) 2010-08-24 US disclosed
US-20080167294-A1 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents PFIZER, INC (US) 2008-07-10 US disclosed
US-20080167294-A1 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents PFIZER, INC (US) 2008-07-10 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 (4 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-20120035131-A1 PYRAZOLINE COMPOUNDS F12, CYP3A7, ABCG2 IMPDH2 2812/4885ALDH1A1 1197/4885KDM4E 2571/4885
US-20100280016-A1 PYRAZOLINE COMPOUNDS F12, CYP3A7, ABCG2 IMPDH2 2812/4885ALDH1A1 1197/4885KDM4E 2571/4885
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES NR3C2, REN, AGTR1 IMPDH2 2353/4885ALDH1A1 1128/4885KDM4E 3652/4885
US-20080167294-A1 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents REN, F3, EDNRB IMPDH2 3704/4885ALDH1A1 279/4885KDM4E 4122/4885

“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.