SCHEMBL17200318

SCHEMBL17200318

COc1ccc(-c2nccc(N)c2N)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.45
▸ NOS1 P29475 1/20 0.45
▸ NOS2 P35228 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ THRB P10828 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL15688500 0.78 ADRA2A (0.44) ALDH1A1MAPTMEN1KMT2AKDM5A
SCHEMBL1003068 0.76 DYRK1A (0.53) NOS3NOS1NOS2ALDH1A1MAPT
SCHEMBL30622627 0.74 DYRK1A (0.54) NOS3NOS1NOS2ALDH1A1KMT2A
SCHEMBL18448865 0.74 DYRK1A (0.54) NOS3NOS1NOS2ALDH1A1KMT2A
SCHEMBL16053280 0.74 ADORA2A (0.44) NOS3NOS1NOS2ALDH1A1MAPT
SCHEMBL12320582 0.74 CRHR1 (0.50) CYP3A4CYP1A2CYP2D6CYP2C9CYP11B1
SCHEMBL10585647 0.72 POLB (0.55) NOS3NOS1NOS2ALDH1A1MAPT
SCHEMBL12326180 0.72 CA1 (0.50) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL17178245 0.72 DRD1 (0.58) NOS3NOS1NOS2ALDH1A1MAPT
SCHEMBL1272231 0.72 ALDH1A1 (0.40) ALDH1A1MAPTMEN1THRBKMT2A

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-3134087-B1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2020-03-18 — — EP disclosed
US-9688698-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-06-27 — — US disclosed
US-20150307522-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-10-29 — — 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 (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-20150307522-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD2, DRD1, DRD4 NOS3 3483/4885NOS1 2101/4885NOS2 3415/4885

“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.

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