SCHEMBL20392882

SCHEMBL20392882

COc1cccc2c(-c3ccc(OC(C)C)cc3)ncnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ HTR1A P08908 2/20 0.39
▸ ADRA1D P25100 2/20 0.39
▸ ADRA1A P35348 2/20 0.39
▸ ADRA1B P35368 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ ACP1 P24666 1/20 0.37
▸ ERN1 O75460 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ IDH1 O75874 1/20 0.36
▸ TNF P01375 1/20 0.36

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
SCHEMBL17178224 0.87 TNKS (0.50) TNKSPARP1TNKS2NPC1MAPT
SCHEMBL17174414 0.81 TNKS (0.40) TNKSPARP1TNKS2EGFRHTR1A
SCHEMBL13313198 0.81 ADORA2A (0.51) TNKSTNKS2SMN1; SMN2EGFRHTR1A
SCHEMBL19390600 0.80 HTR1A (0.42) MAPTKMT2AEGFRHTR1AADRA1D
SCHEMBL19371603 0.72 DRD1 (0.53) POLB
SCHEMBL22644982 0.71 PDE1B (0.48) KMT2AEGFRHTR1AADRA1DADRA1A
SCHEMBL24009016 0.71 CDK2 (0.42) EGFRHTR1AADRA1DADRA1AADRA1B
SCHEMBL22291011 0.70 ENPP1 (0.50) EGFRHTR1AADRA1DADRA1AADRA1B
SCHEMBL24009039 0.69 HTR1A (0.36) EGFRHTR1AADRA1DADRA1AADRA1B
SCHEMBL3240985 0.68 HTR1A (0.50) NPC1MAPTRAB9AKMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180200253-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2018-07-19 — — 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-20180200253-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands COMT, DRD2, NR3C1 TNKS 3244/4885PARP1 1688/4885TNKS2 3777/4885

“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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