SCHEMBL3594477

SCHEMBL3594477

CN1CCN(Cc2ccc(CC#N)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
MC4R P32245 1/20 0.59
CHKA P35790 8/20 0.57
CA2 P00918 1/20 0.54
NCF1 P14598 1/20 0.54
PRMT6 Q96LA8 1/20 0.54
ALDH1A1 P00352 1/20 0.51
HDAC6 Q9UBN7 1/20 0.50
HRH3 Q9Y5N1 3/20 0.49
NPC1 O15118 2/20 0.49
TP53 P04637 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.48

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
SCHEMBL3440098 0.83 HRH3 (0.65) NCF1ALDH1A1HRH3KDM4E
SCHEMBL148919 0.82 KCNJ1 (0.61) LMNAMC4RCHKACA2NCF1
SCHEMBL4010533 0.81 HRH3 (0.69) NCF1ALDH1A1HRH3KDM4E
SCHEMBL6479341 0.81 NPC1 (0.51) LMNAALDH1A1NPC1TP53RAB9A
SCHEMBL9192568 0.79 HRH3 (0.67) NCF1ALDH1A1HRH3KDM4E
SCHEMBL3585755 0.79 NCF1 (0.55) CHKANCF1ALDH1A1KDM4E
SCHEMBL6223759 0.79 HRH3 (0.65) LMNANCF1ALDH1A1HRH3NPC1
SCHEMBL14029854 0.78 LMNA (0.56) LMNAMC4RCHKACA2NCF1
Water SCHEMBL27847850 0.78 LMNA (0.65) LMNAMC4RCHKACA2NCF1
SCHEMBL2056138 0.77 LMNA (0.69) LMNAMC4RCHKACA2NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
CN-101516888-A Pyrazolo [1, 5-a] pyrimidine derivatives and their therapeutic use NOVARTIS AG (CH) 2009-08-26 CN disclosed
EP-2074127-A1 PYRAZOLO [1, 5-A]PYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USE Novartis AG (CH) 2009-07-01 EP disclosed
WO-2008037459-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USE NOVARTIS AG (CH) 2008-04-03 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 (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-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN LMNA 4677/4885MC4R 3945/4885CHKA 584/4885

“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.