SCHEMBL21713101

SCHEMBL21713101

CCc1nc(Cl)nc(C)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.40
FABP4 P15090 2/20 0.40
FABP5 Q01469 1/20 0.40
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35

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
SCHEMBL3543372 0.82 ALDH1A1 (0.47) FABP3FABP4ALDH1A1SMN1; SMN2MAPK1
SCHEMBL5511141 0.81 NPSR1 (0.41) FABP3FABP4FABP5ALDH1A1SMN1; SMN2
SCHEMBL12490739 0.81 KDM4E (0.47) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL11908452 0.80 GABRP (0.41) FABP3FABP4FABP5ALDH1A1SMN1; SMN2
SCHEMBL12490914 0.78 ADORA3 (0.49) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL19796052 0.76 ALDH1A1 (0.52) FABP3FABP4ALDH1A1SMN1; SMN2MAPK1
SCHEMBL8398211 0.76 FABP3 (0.40) FABP3FABP4FABP5ALDH1A1SMN1; SMN2
SCHEMBL9655129 0.74 ALDH1A1 (0.46) FABP3FABP4FABP5ALDH1A1SMN1; SMN2
SCHEMBL5509874 0.71 KDM4E (0.55) FABP3FABP4FABP5ALDH1A1SMN1; SMN2
SCHEMBL23043229 0.70 GABRP (0.39) FABP3FABP4FABP5ALDH1A1SMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3837252-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2025-12-10 EP disclosed
US-12091399-B2 Phenyltetrazole derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-09-17 US disclosed
CN-113039181-B Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2024-08-13 CN disclosed
EP-3863713-B1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-01-25 EP disclosed
US-20210387963-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-12-16 US disclosed
EP-3863713-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS Boehringer Ingelheim International GmbH (DE) 2021-08-18 EP disclosed
CN-113039181-A Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors 勃林格殷格翰国际有限公司 2021-06-25 CN disclosed
EP-3837252-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS Boehringer Ingelheim International GmbH (DE) 2021-06-23 EP disclosed
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 US disclosed
WO-2020035540-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-02-20 WO 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 (4 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-20210387963-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, SERPINB1 FABP3 3359/4885FABP4 4518/4885FABP5 3630/4885
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors KLKB1, KLK1, KLK5 FABP3 2874/4885FABP4 3518/4885FABP5 2856/4885
US-12091399-B2 Phenyltetrazole derivatives as plasma kallikrein inhibitors KLKB1, SERPINE1, SERPINB1 FABP3 3359/4885FABP4 4518/4885FABP5 3630/4885
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 FABP3 2874/4885FABP4 3518/4885FABP5 2856/4885

“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.