SCHEMBL17178265

SCHEMBL17178265

COc1ccc(-c2cccnc2C)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.53
CYP1A1 P04798 3/20 0.51
CYP1B1 Q16678 3/20 0.51
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2E1 P05181 1/20 0.51
CYP2C8 P10632 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2A6 P11509 1/20 0.51
CYP4B1 P13584 1/20 0.51
CYP2B6 P20813 1/20 0.51
CYP3A5 P20815 1/20 0.51
CYP2A7 P20853 1/20 0.51
CYP3A7 P24462 1/20 0.51
CYP2F1 P24903 1/20 0.51
CYP2C18 P33260 1/20 0.51
CYP2J2 P51589 1/20 0.51
CYP4F2 P78329 1/20 0.51

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
SCHEMBL19390715 0.89 PDE2A (0.45) PDE2ACYP1A1CYP1B1CYP1A2CYP3A4
SCHEMBL17174388 0.87 PDE2A (0.46) PDE2ACYP1A1CYP1B1CYP1A2CYP3A4
SCHEMBL15698829 0.85 CYP11B1 (0.44) PDE2ACYP1A2CYP3A4CYP2D6PDE10A
SCHEMBL17178323 0.84 PDE2A (0.51) PDE2APDE10APDE5APDE11APDE4A
SCHEMBL28310572 0.84 PDE2A (0.53) PDE2ACYP1A1CYP1B1CYP1A2CYP3A4
SCHEMBL17200346 0.83 ESR1 (0.46) PDE2APDE10APDE5APDE11APDE4A
SCHEMBL31538562 0.83 PDE2A (0.52) PDE2ACYP1A1CYP1B1CYP1A2CYP3A4
SCHEMBL20595575 0.83 HSP90AA1 (0.44) PDE2ACYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL15698794 0.81 PTPN1 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL15698798 0.80 SYK (0.41) PDE2APDE10APDE5APDE11APDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2917219-B1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2017-09-27 EP disclosed
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2017-06-15 US disclosed
US-9617275-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-04-11 US disclosed
US-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER (US) 2015-10-15 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 (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-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, ADRA1D, ADRB1 PDE2A 1032/4885CYP1A1 203/4885CYP1B1 280/4885
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, DRD3, ADRB1 PDE2A 2054/4885CYP1A1 742/4885CYP1B1 1135/4885

“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.