SCHEMBL25597800

SCHEMBL25597800

C=CC(=O)Nc1ccc2c(ccn2C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ TP53 P04637 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ RECQL P46063 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ HTR2C P28335 4/20 0.53
▸ MAOB P27338 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MAPK1 P28482 1/20 0.52

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
SCHEMBL28016711 0.88 TGM2 (0.49) HTR2BMEN1TP53CYP1A2CYP3A4
SCHEMBL19538866 0.81 MAPT (0.59) HTR2BMEN1TP53CYP1A2CYP3A4
SCHEMBL21379454 0.81 HTR2C (0.60) HTR2BMEN1TP53CYP1A2CYP3A4
SCHEMBL13808316 0.80 HTR2B (0.58) HTR2BMEN1TP53CYP1A2CYP3A4
SCHEMBL29757934 0.80 HTR2B (0.58) HTR2BMEN1TP53CYP1A2CYP3A4
SCHEMBL12110170 0.79 HTR2B (0.64) HTR2BMEN1TP53CYP1A2CYP3A4
SCHEMBL25855122 0.79 HTR2B (0.51) HTR2BMEN1TP53CYP1A2CYP3A4
SCHEMBL1148605 0.78 HTR2B (0.62) HTR2BMEN1TP53CYP1A2CYP3A4
SCHEMBL31035952 0.78 NOTUM (0.62) HTR2BMEN1TP53CYP1A2CYP3A4
SCHEMBL19538872 0.78 HTR2C (0.56) HTR2BMEN1TP53CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 — — WO disclosed
US-20230140808-A1 (1 H-Indol-5-YL)Acrylamide Derivatives as Inhibitors of Tead Proteins and the Hippo-YAP1/TAZ Signaling Cascade for the Treatment of Cancer SANOFI (FR) 2023-05-04 — — 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-20230140808-A1 (1 H-Indol-5-YL)Acrylamide Derivatives as Inhibitors of Tead Proteins and the Hippo-YAP1/TAZ Signaling Cascade for the Treatment of Cancer YAP1, YES1, TEAD1 HTR2B 1881/4885MEN1 3933/4885TP53 21/4885

“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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