SCHEMBL21713129

SCHEMBL21713129

Cc1ncccc1-c1c(C(=O)O)c(C)nn1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
DHODH Q02127 7/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
IDO1 P14902 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
PDE10A Q9Y233 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MYC P01106 2/20 0.37

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
SCHEMBL12543097 0.79 KMT2A (0.55) CYP1A2CYP2C9CYP2C19DHODHKDM4E
SCHEMBL13615359 0.76 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19DHODHKDM4E
SCHEMBL21981602 0.73 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19KDM4EMAPT
SCHEMBL30890815 0.73 CYP2C9 (0.43) CYP1A2CYP2C9CYP2C19KDM4EMAPT
SCHEMBL174691 0.72 P2RX7 (0.43) CYP1A2CYP2C9CYP2C19DHODHKDM4E
SCHEMBL20659514 0.72 MAPT (0.43) CYP1A2CYP2C9CYP2C19DHODHKDM4E
SCHEMBL20673417 0.72 CYP2C9 (0.53) CYP1A2CYP2C9CYP2C19KDM4EMAPT
SCHEMBL20659681 0.71 LMNA (0.54) KDM4EMAPTMEN1KMT2A
SCHEMBL23830181 0.71 MKNK1 (0.50) DHODHMKNK1MKNK2KDM4EMEN1
SCHEMBL21713073 0.71 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19KDM4EMAPT

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
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 US disclosed
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-02-20 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-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors KLKB1, KLK1, KLK5 CYP1A2 400/4885CYP2C9 444/4885CYP2C19 180/4885
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 CYP1A2 400/4885CYP2C9 444/4885CYP2C19 180/4885

“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.