SCHEMBL1937534

SCHEMBL1937534

COc1cc(OC)cc(-c2c(Cl)nnc(C)c2-c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2B6 P20813 2/20 0.43
CYP1A1 P04798 1/20 0.43
CYP2E1 P05181 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP4B1 P13584 1/20 0.43
CYP3A5 P20815 1/20 0.43
CYP2A7 P20853 1/20 0.43
CYP3A7 P24462 1/20 0.43
CYP2F1 P24903 1/20 0.43
CYP2C18 P33260 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP2J2 P51589 1/20 0.43
CYP4F2 P78329 1/20 0.43

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
SCHEMBL1937880 0.89 ABL1 (0.44) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL1937688 0.85 TP53 (0.41) CYP1B1MAPTMEN1KMT2ARAB9A
SCHEMBL2872108 0.83 MAOB (0.51) ADORA2ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL1162526 0.83 ALDH1A1 (0.41) CYP1A2CYP3A4CYP2C9CYP2B6CYP1A1
SCHEMBL1162344 0.81 ALDH1A1 (0.41) ADORA2AADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL1937531 0.81 ADORA2A (0.50) ADORA2AADORA1MAPTMEN1KMT2A
SCHEMBL1162374 0.81 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C9CYP2B6CYP1A1
SCHEMBL1162386 0.80 PDE2A (0.35) CYP1A2CYP3A4CYP2C9CYP2B6CYP1A1
SCHEMBL1162406 0.78 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9CYP2B6CYP1A1
SCHEMBL1938270 0.78 ADORA2A (0.47) ADORA2AADORA1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2330891-A1 FUNGICIDAL PYRIDAZINES E. I. du Pont de Nemours and Company (US) 2011-06-15 EP disclosed
US-20110136762-A1 FUNGICIDAL PYRIDAZINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-09 US disclosed
WO-2010036553-A1 FUNGICIDAL PYRIDAZINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-01 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-20110136762-A1 FUNGICIDAL PYRIDAZINES PRDX1, PNPO, PRXL2A ADORA2A 1178/4885ADORA1 504/4885CYP1A2 19/4885

“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.