SCHEMBL4285135

SCHEMBL4285135

Nc1ccc(CN2CCN(C3CC3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
ALDH1A1 P00352 2/20 0.59
TRPV6 Q9H1D0 7/20 0.54
L3MBTL3 Q96JM7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HRH3 Q9Y5N1 3/20 0.50
TSHR P16473 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL22418945 0.95 LMNA (0.56) LMNAALDH1A1TRPV6L3MBTL3L3MBTL1
SCHEMBL3397766 0.86 HRH3 (0.61) LMNAALDH1A1L3MBTL3L3MBTL1HRH3
SCHEMBL15652459 0.85 LMNA (0.71) LMNAALDH1A1L3MBTL3L3MBTL1HRH3
SCHEMBL20640316 0.85 ALDH1A1 (0.69) LMNAALDH1A1L3MBTL3L3MBTL1HRH3
SCHEMBL10690328 0.84 LMNA (0.80) LMNAALDH1A1HRH3KDM4ESIGMAR1
SCHEMBL24064074 0.82 POLB (0.56) ALDH1A1TRPV6L3MBTL3L3MBTL1HRH3
SCHEMBL12688022 0.82 KDM4E (0.56) ALDH1A1TRPV6L3MBTL3L3MBTL1HRH3
SCHEMBL4797625 0.81 SIGMAR1 (0.69) LMNATRPV6TSHRSIGMAR1
SCHEMBL22430869 0.81 ALDH1A1 (0.55) ALDH1A1TRPV6L3MBTL3L3MBTL1HRH3
SCHEMBL14058769 0.79 L3MBTL3 (0.53) ALDH1A1TRPV6L3MBTL3L3MBTL1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101981036-B Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2013-09-04 CN disclosed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
CN-101981036-A Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2011-02-23 CN disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 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 (1 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 LMNA 3429/4885ALDH1A1 1389/4885TRPV6 2832/4885

“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.