SCHEMBL107791

SCHEMBL107791

CN1CCN(C(=O)c2ccc(N)nc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 3/20 0.55
MTOR P42345 1/20 0.55
HPGD P15428 4/20 0.53
ALOX15 P16050 1/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
HRH3 Q9Y5N1 1/20 0.51
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
GABRA4 P48169 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
SCHEMBL29414456 1.00 GRM5 (0.56) GRM5KDM4EPOLBMTORHPGD
SCHEMBL20917639 0.90 KDM4E (0.47) GRM5KDM4EPOLBMTORHPGD
SCHEMBL29230264 0.88 SMN1; SMN2 (0.50) GRM5KDM4EMTORHPGDGABRP
SCHEMBL31697636 0.88 SMN1; SMN2 (0.50) GRM5KDM4EMTORHPGDGABRP
SCHEMBL22112922 0.87 L3MBTL3 (0.61) MTORHRH3
SCHEMBL6173203 0.85 HPGD (0.59) GRM5KDM4EPOLBHPGDALOX15
SCHEMBL10726108 0.84 HPGD (0.61) GRM5KDM4EPOLBHPGDALOX15
SCHEMBL24710405 0.84 HRH3 (0.60) HRH3
SCHEMBL18822758 0.84 HRH3 (0.54) MTORHPGDHRH3GABRPGABRD
SCHEMBL29414467 0.84 HRH3 (0.54) MTORHPGDHRH3GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2282995-B1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-08-26 EP claimed
US-8536175-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-09-17 US claimed
EP-4265254-A2 IMIDAZO[4,5-B]PYRIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos N.V. (BE) 2023-10-25 EP disclosed
US-20230310433-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2023-10-05 US disclosed
US-20230310433-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2023-10-05 US disclosed
EP-3697784-B1 IMIDAZO[4,5-B]PYRIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2023-10-04 EP disclosed
US-11564923-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2023-01-31 US disclosed
WO-2022257568-A1 AZAINDOLE PYRIMIDINAMINE HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国药科大学 2022-12-15 WO disclosed
WO-2022257568-A1 AZAINDOLE PYRIMIDINAMINE HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国药科大学 2022-12-15 WO disclosed
US-11053238-B2 Benzimidazole derivatives, preparation methods and uses thereof BETTA PHARMACEUTICALS CO., LTD. (CN) 2021-07-06 US disclosed
US-11053238-B2 Benzimidazole derivatives, preparation methods and uses thereof BETTA PHARMACEUTICALS CO., LTD. (CN) 2021-07-06 US disclosed
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 WO disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
WO-2009053269-A1 NOVEL KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 US disclosed
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 US disclosed
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 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 (6 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-20090182140-A1 Alicyclic Heterocyclic Compound CCR4, CCR1, HRH4 GRM5 2167/4885KDM4E 657/4885POLB 3362/4885
US-11053238-B2 Benzimidazole derivatives, preparation methods and uses thereof CDK6, CDK4, CDK3 GRM5 3137/4885KDM4E 568/4885POLB 1737/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR GRM5 1539/4885KDM4E 1648/4885POLB 4146/4885
US-20090105209-A1 BTK protein kinase inhibitors BTK, SYK, LYN GRM5 4674/4885KDM4E 1225/4885POLB 2273/4885
US-11564923-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders IL15, IL2, IL33 GRM5 4854/4885KDM4E 4350/4885POLB 2232/4885
US-20230310433-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS IL15, IL2, IL33 GRM5 4854/4885KDM4E 4350/4885POLB 2232/4885

“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.