SCHEMBL2632885

SCHEMBL2632885

CCNc1nc2cc(C)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
GFER P55789 1/20 0.51
HIF1A Q16665 1/20 0.51
PKM P14618 1/20 0.50
BCHE P06276 1/20 0.49
TRPC3 Q13507 1/20 0.49
TRPC4 Q9UBN4 1/20 0.49
TRPC5 Q9UL62 1/20 0.49
ADORA2A P29274 1/20 0.44
TSHR P16473 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4C Q9H3R0 1/20 0.42

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
SCHEMBL15450949 0.87 RAB9A (0.67) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL26002044 0.84 ALDH1A1 (0.58) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL30425811 0.82 BCHE (0.44) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL5096961 0.82 RAB9A (0.52) RAB9ASMN1; SMN2LMNAGFERBCHE
SCHEMBL12829204 0.82 BCHE (0.44) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL25387896 0.82 BCHE (0.44) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL15942807 0.81 ADORA2A (0.47) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL2625329 0.80 BCHE (0.42) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL16671940 0.79 MEN1 (0.50) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL8733206 0.79 MAPT (0.48) RAB9ASMN1; SMN2LMNAHTTGFER

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 US disclosed
US-8828990-B2 N-7 substituted purine and pyrazolopyrimine compounds, compositions and methods of use GENENTECH, INC. (US) 2014-09-09 US disclosed
US-8637542-B2 Kinase inhibitors and methods of use INTELLIKINE, INC. (US) 2014-01-28 US disclosed
US-8288381-B2 N-9 substituted purine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-10-16 US disclosed
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2012-06-28 US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
US-20110086840-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2011-04-14 US disclosed
US-20110086841-A1 N-9 SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2011-04-14 US disclosed
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-03-18 US disclosed
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
EP-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 EP disclosed
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-11-04 US disclosed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 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 (7 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-20110086841-A1 N-9 SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ADORA3, ADORA2A, ADORA2B RAB9A 562/4885SMN1; SMN2 1497/4885LMNA 1145/4885
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 RAB9A 1534/4885SMN1; SMN2 3130/4885LMNA 2898/4885
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC3 RAB9A 3395/4885SMN1; SMN2 2068/4885LMNA 4144/4885
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK RAB9A 2119/4885SMN1; SMN2 1868/4885LMNA 3554/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 RAB9A 1708/4885SMN1; SMN2 2703/4885LMNA 3045/4885
US-20110086840-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX7, P2RY1, PNP RAB9A 2918/4885SMN1; SMN2 2274/4885LMNA 2366/4885
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK RAB9A 2119/4885SMN1; SMN2 1868/4885LMNA 3554/4885

“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.