SCHEMBL3588930

SCHEMBL3588930

CN1CCN(Cc2ccc(-c3cn[nH]c3N)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
CHKA P35790 6/20 0.54
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
TNIK Q9UKE5 5/20 0.48
CA2 P00918 1/20 0.48
NCF1 P14598 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
MC4R P32245 1/20 0.47
TGFBR1 P36897 1/20 0.47
ACVR1 Q04771 1/20 0.47
KDR P35968 1/20 0.46

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 0.80 MAPT (0.51) LMNAMAPTTDP1KDR
SCHEMBL16039320 0.79 LMNA (0.58) LMNACHKATNIKCA2NCF1
SCHEMBL17907568 0.76 LMNA (0.54) LMNACHKATNIKCA2NCF1
SCHEMBL55983 0.73 LMNA (1.00) LMNACHKAMAPTCA2NCF1
SCHEMBL18611414 0.72 CHKA (0.72) LMNACHKACA2NCF1PRMT6
SCHEMBL14842245 0.72 TNIK (0.61) TNIK
Hydrochloric Acid SCHEMBL1675964 0.72 LMNA (0.96) LMNACHKAMAPTCA2NCF1
SCHEMBL3577966 0.71 LMNA (0.46) LMNAMAPTTDP1
SCHEMBL3687427 0.71 CHKA (0.87) LMNACHKATNIKMC4R
SCHEMBL16121577 0.71 CHKA (1.00) LMNACHKACA2NCF1PRMT6

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 7 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
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 4677/4885CHKA 584/4885MAPT 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.