SCHEMBL3593958

SCHEMBL3593958

CN1CCN(c2ccc(-c3cnn4c(N)c(-c5ccc(NC(=O)Nc6ccccc6Cl)cc5)cnc34)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 1.00
HCK P08631 17/20 1.00
SRC P12931 16/20 0.87
KDR P35968 17/20 0.70
ABL1 P00519 2/20 0.64
RET P07949 2/20 0.64
KIT P10721 2/20 0.64
PDGFRA P16234 1/20 0.64
TEK Q02763 1/20 0.64
PLK4 O00444 1/20 0.55
AURKA O14965 1/20 0.55
DYRK3 O43781 1/20 0.55
ROCK2 O75116 1/20 0.55
MAP4K4 O95819 1/20 0.55
EGFR P00533 1/20 0.55
NTRK1 P04629 1/20 0.55
FYN P06241 1/20 0.55
CDK1 P06493 1/20 0.55
FES P07332 1/20 0.55
CSF1R P07333 1/20 0.55

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
SCHEMBL4173097 0.82 LCK (0.70) LCKHCKSRCKDRABL1
SCHEMBL3594264 0.81 LCK (0.79) LCKHCKSRCKDRABL1
SCHEMBL4185161 0.81 LCK (0.81) LCKHCKSRCKDRABL1
SCHEMBL4179820 0.80 LCK (0.83) LCKHCKSRCKDRABL1
SCHEMBL4173531 0.80 LCK (0.80) LCKHCKSRCKDRABL1
SCHEMBL3590297 0.78 LCK (1.00) LCKHCKSRCKDRABL1
SCHEMBL4179884 0.78 LCK (0.77) LCKHCKSRCKDRABL1
SCHEMBL4171013 0.78 LCK (1.00) LCKHCKSRCKDRABL1
SCHEMBL3588495 0.78 LCK (0.83) LCKHCKSRCKDRABL1
SCHEMBL4175257 0.77 LCK (0.79) LCKHCKSRCKDRABL1

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 LCK 1/4885HCK 42/4885SRC 16/4885

“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.