SCHEMBL20180732

SCHEMBL20180732

NNC(=O)c1cccc2cnccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
CYP2D6 P10635 3/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP2C9 P11712 1/20 0.50
MAPKAPK2 P49137 1/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
PREP P48147 2/20 0.48
DPP7 Q9UHL4 1/20 0.48
DGAT2 Q96PD7 2/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC2 Q92769 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PRKD3 O94806 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL17040876 0.81 KDM4E (0.55) CYP3A4CYP2D6LMNACYP1A2CYP2C19
SCHEMBL4040801 0.81 KDM4E (0.55) CYP3A4CYP2D6LMNACYP1A2CYP2C19
SCHEMBL27598089 0.81 KDM4E (0.58) CYP3A4CYP2D6LMNACYP1A2CYP2C19
SCHEMBL17737445 0.80 DEGS1 (0.56) CYP3A4KDM4ECYP2C9MEN1KMT2A
SCHEMBL117921 0.80 NR4A1 (0.60) CYP3A4CYP2D6LMNACYP1A2CYP2C19
SCHEMBL29702097 0.80 NR4A1 (0.60) CYP3A4CYP2D6LMNACYP1A2CYP2C19
SCHEMBL145153 0.79 HDAC8 (0.69) LMNAHDAC6HDAC2POLBMEN1
SCHEMBL10245899 0.79 HTT (0.59) LMNACNR1CNR2PREPDPP7
SCHEMBL1828133 0.78 KDM4E (0.55) CYP3A4CYP2D6LMNACYP1A2CYP2C19
SCHEMBL30098456 0.78 KDM4E (0.55) CYP3A4CYP2D6LMNACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022180080-A1 ANTI-PROLIFERATIVE AGENTS FIRST HEALTH PHARMACEUTICALS B.V. (NL) 2022-09-01 WO disclosed
EP-4050002-A1 ANTI-PROLIFERATIVE AGENTS First Health Pharmaceuticals B.V. (NL) 2022-08-31 EP disclosed
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-02-02 US disclosed
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-02-02 US disclosed
EP-3541810-B1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
EP-3541810-B1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
US-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-19 US disclosed
US-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-19 US disclosed
WO-2018093579-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 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 (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-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R CYP3A4 882/4885CYP2D6 1074/4885LMNA 3306/4885
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R CYP3A4 882/4885CYP2D6 1074/4885LMNA 3306/4885

“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.