SCHEMBL358399

SCHEMBL358399

CN(C)c1nc2ccccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C19 P33261 1/20 0.62
BCHE P06276 2/20 0.60
ACHE P22303 1/20 0.60
ALDH1A1 P00352 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ABCB11 O95342 1/20 0.54
TP53 P04637 1/20 0.54
PKM P14618 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HPGD P15428 1/20 0.51
MCL1 Q07820 1/20 0.51
POLB P06746 2/20 0.50
DDAH1 O94760 1/20 0.50

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
Hydrochloric Acid SCHEMBL20291494 0.98 LMNA (0.66) LMNACYP1A2CYP2D6CYP2C19BCHE
Hydrochloric Acid SCHEMBL270476 0.98 LMNA (0.66) LMNACYP1A2CYP2D6CYP2C19BCHE
Hydrochloric Acid SCHEMBL270477 0.98 LMNA (0.66) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL29025770 0.86 LMNA (0.61) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL15883889 0.84 LMNA (0.59) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL22227972 0.83 LMNA (0.61) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL15883906 0.81 BCHE (0.58) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL11303623 0.81 LMNA (0.56) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL19361299 0.81 LMNA (0.56) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL350139 0.80 LMNA (0.54) LMNACYP1A2CYP2D6CYP2C19BCHE

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109153674-B Iminothiadiazine dioxide derivatives as inhibitors of plasmepsin V of plasmodium UCB生物制药有限责任公司 2022-03-22 CN claimed
CN-109153674-B Iminothiadiazine dioxide derivatives as inhibitors of plasmepsin V of plasmodium UCB生物制药有限责任公司 2022-03-22 CN disclosed
US-20180319955-A1 RUBBER COMPOSITION, AND PNEUMATIC TIRE USING SAME BRIDGESTONE CORPORATION (JP) 2018-11-08 US disclosed
US-10053553-B2 Rubber composition, and pneumatic tire using same BRIDGESTONE CORPORATION (JP) 2018-08-21 US disclosed
EP-2960284-B1 RUBBER COMPOSITION, AND PNEUMATIC TIRE USING SAME BRIDGESTONE CORP (JP) 2018-08-01 EP disclosed
CN-104955890-B Rubber composition and use its pneumatic tire 株式会社普利司通 2017-11-28 CN disclosed
EP-2740730-B1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2016-11-16 EP disclosed
EP-2960284-A1 RUBBER COMPOSITION, AND PNEUMATIC TIRE USING SAME Bridgestone Corporation (JP) 2015-12-30 EP disclosed
US-20150361248-A1 RUBBER COMPOSITION, AND PNEUMATIC TIRE USING SAME OTSUKA CHEMICAL CO., LTD. (JP) 2015-12-17 US disclosed
US-8969345-B2 Dibenzooxepin derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-03-03 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
WO-2010138589-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. (US) 2010-12-02 WO disclosed
WO-2010138589-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. (US) 2010-12-02 WO disclosed
WO-2007117778-A9 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS INC (US) 2009-05-22 WO disclosed
EP-1986747-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS Kalypsys, Inc. (US) 2008-11-05 EP disclosed
US-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2008-06-12 US disclosed
WO-2007117778-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2007-10-18 WO disclosed
EP-1322620-A1 BENZIMIDAZOLE AND INDOLE DERIVATIVES AS CRF RECEPTOR MODULATORS Neurogen Corporation (US) 2003-07-02 EP disclosed
US-20030055037-A1 Benzimidazole and indole derivatives as CRF receptor modulators NEUROGEN CORPORATION 2003-03-20 US disclosed
WO-2002028839-A1 BENZIMIDAZOLE AND INDOLE DERIVATIVES AS CRF RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2002-04-11 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 (3 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-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS NOS2, NOS1, NQO2 LMNA 2981/4885CYP1A2 54/4885CYP2D6 77/4885
US-20030055037-A1 Benzimidazole and indole derivatives as CRF receptor modulators CRHR1, CRH, HTR4 LMNA 915/4885CYP1A2 3645/4885CYP2D6 2517/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD LMNA 3229/4885CYP1A2 702/4885CYP2D6 2614/4885

“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.