SCHEMBL2625329

SCHEMBL2625329

CCNc1nc2cc(C(C)C)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
TRPC3 Q13507 1/20 0.42
TRPC4 Q9UBN4 1/20 0.42
TRPC5 Q9UL62 1/20 0.42
KDM4C Q9H3R0 1/20 0.40
HTT P42858 4/20 0.39
RIPK1 Q13546 2/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 3/20 0.38
TP53 P04637 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.37
MAPK14 Q16539 1/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.36
GFER P55789 1/20 0.36
HIF1A Q16665 1/20 0.36
PKM P14618 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL26225702 0.88 SCN10A (0.49) BCHETRPC3TRPC4TRPC5KDM4C
SCHEMBL2632885 0.80 RAB9A (0.51) BCHETRPC3TRPC4TRPC5KDM4C
SCHEMBL5096961 0.78 RAB9A (0.52) BCHETRPC3TRPC4TRPC5KDM4C
SCHEMBL30425811 0.78 BCHE (0.44) BCHETRPC3TRPC4TRPC5KDM4C
SCHEMBL12829204 0.78 BCHE (0.44) BCHETRPC3TRPC4TRPC5KDM4C
SCHEMBL25387896 0.78 BCHE (0.44) BCHETRPC3TRPC4TRPC5KDM4C
SCHEMBL6888843 0.77 ALDH1A1 (0.44) SMN1; SMN2RAB9ASCN10APOLBLMNA
SCHEMBL10299138 0.76 DDAH1 (0.54) HTTRAB9ASCN10AMAPTTDP1
SCHEMBL5679513 0.75 DYRK1A (0.46) BCHETRPC3TRPC4TRPC5KDM4C
SCHEMBL25390222 0.75 BCHE (0.41) BCHETRPC3TRPC4TRPC5KDM4C

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 8 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 BCHE 1738/4885TRPC3 3270/4885TRPC4 2536/4885
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC3 BCHE 3702/4885TRPC3 3012/4885TRPC4 4201/4885
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK BCHE 4643/4885TRPC3 1692/4885TRPC4 2395/4885
US-20110086840-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX7, P2RY1, PNP BCHE 2465/4885TRPC3 1698/4885TRPC4 1813/4885
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK BCHE 4643/4885TRPC3 1692/4885TRPC4 2395/4885

“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.