SCHEMBL3594899

SCHEMBL3594899

CN1CCC(N2CCN(c3ccc(-c4cn[nH]c4N)cc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
ALK Q9UM73 1/20 0.43
MAPT P10636 3/20 0.43
FYN P06241 1/20 0.41
LMNA P02545 1/20 0.41
JAK2 O60674 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PTK2 Q05397 1/20 0.41
ACVR1 Q04771 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
KMT2A Q03164 2/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
ADRA2C P18825 1/20 0.39
GFER P55789 1/20 0.39
PTK2B Q14289 1/20 0.39

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
SCHEMBL3588113 0.87 MAPT (0.51) MAPTFYNLMNAJAK2ALDH1A1
SCHEMBL4170081 0.86 ALDH1A1 (0.51) LMNAJAK2ALDH1A1PTK2ACVR1
SCHEMBL3577966 0.76 LMNA (0.46) MAPTFYNLMNATDP1KDM4E
SCHEMBL156523 0.76 MAPT (0.68) MAPTLMNAALDH1A1TDP1KMT2A
SCHEMBL3584943 0.75 MAPT (0.50) MAPTLMNAACVR1TDP1L3MBTL1
SCHEMBL27775982 0.74 MAPT (0.46) HRH3ALKMAPTFYNLMNA
SCHEMBL3577145 0.74 GAA (0.48) MAPTFYNLMNAJAK2ALDH1A1
SCHEMBL3580409 0.73 ADRA2C (0.54) MAPTLMNAJAK2KDM4EGAA
SCHEMBL3594309 0.72 LCK (0.68) ACVR1PDGFRAKMT2A
SCHEMBL12082195 0.72 L3MBTL3 (0.55) HRH3MAPTALDH1A1KMT2AL3MBTL3

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 HRH3 3567/4885ALK 1081/4885MAPT 2260/4885

“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.