SCHEMBL21713005

SCHEMBL21713005

O=C(O)c1cnc2[nH]cncc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
GABRA1 P14867 3/20 0.39
GABRA5 P31644 3/20 0.39
GABRB2 P47870 3/20 0.39
GABRA4 P48169 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
NFKB1 P19838 1/20 0.39
GABRR1 P24046 1/20 0.39
GABRR2 P28476 1/20 0.39
KDM4E B2RXH2 4/20 0.38
MAPT P10636 1/20 0.38
PMP22 Q01453 1/20 0.38
BLM P54132 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DDT P30046 1/20 0.36
KDM6B O15054 1/20 0.34
KDM4A O75164 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
HIF1AN Q9NWT6 1/20 0.34

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
SCHEMBL28202370 0.80 ALDH1A1 (0.35) CYP3A4GABRA1GABRA5GABRB2GABRA4
SCHEMBL28892916 0.70 CYP3A4 (0.41) CYP3A4GABRA1GABRA5GABRB2GABRA4
SCHEMBL28089940 0.70 CYP3A4 (0.39) CYP3A4GABRA1GABRA5GABRB2GABRA4
SCHEMBL18341916 0.70 ALDH1A1 (0.36) ALDH1A1KDM4EPMP22NPSR1RAB9A
SCHEMBL12988410 0.68 SYK (0.35) CYP3A4ALDH1A1SMN1; SMN2TBXAS1
SCHEMBL311677 0.68 ALDH1A1 (0.34) ALDH1A1KDM4EPMP22NPSR1
SCHEMBL798220 0.68 NAPRT (0.45) CYP3A4GABRA1GABRA5GABRB2GABRA4
SCHEMBL6502793 0.68 IDO1 (0.38) ALDH1A1TSHRSMN1; SMN2
SCHEMBL25861866 0.68 ALDH1A1 (0.44) CYP3A4ALDH1A1TSHRTP53
SCHEMBL6237061 0.68 KMT2A (0.33) CYP3A4ALDH1A1TSHRKDM4EBLM

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
US-12479827-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-11-25 US disclosed
US-12091399-B2 Phenyltetrazole derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-09-17 US disclosed
US-20240076286-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-03-07 US disclosed
US-20240002363-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-01-04 US disclosed
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-20210387963-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-12-16 US disclosed
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-09-23 US disclosed
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 (9 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-12479827-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 CYP3A4 357/4885GABRA1 1590/4885GABRA5 1580/4885
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 CYP3A4 357/4885GABRA1 1590/4885GABRA5 1580/4885
US-20210387963-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, SERPINB1 CYP3A4 255/4885GABRA1 1921/4885GABRA5 1948/4885
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors KLKB1, KLK1, KLK5 CYP3A4 325/4885GABRA1 1750/4885GABRA5 1876/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 CYP3A4 357/4885GABRA1 1590/4885GABRA5 1580/4885
US-20240002363-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 CYP3A4 357/4885GABRA1 1590/4885GABRA5 1580/4885
US-12091399-B2 Phenyltetrazole derivatives as plasma kallikrein inhibitors KLKB1, SERPINE1, SERPINB1 CYP3A4 255/4885GABRA1 1921/4885GABRA5 1948/4885
US-20240076286-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 CYP3A4 357/4885GABRA1 1590/4885GABRA5 1580/4885
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 CYP3A4 325/4885GABRA1 1750/4885GABRA5 1876/4885

“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.