SCHEMBL4144541

SCHEMBL4144541

CC(Nc1ncc(-c2cc(C3CC3)[nH]n2)c(N)n1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 10/20 0.59
IGF1R P08069 8/20 0.59
JAK2 O60674 1/20 0.41
CCNA2 P20248 3/20 0.41
CDK2 P24941 3/20 0.41
CCNA1 P78396 3/20 0.41

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
SCHEMBL4162039 0.90 NTRK1 (0.62) NTRK1IGF1RJAK2
SCHEMBL15208531 0.85 PAK1 (0.50) NTRK1IGF1RJAK2
SCHEMBL15208437 0.84 PAK1 (0.58) NTRK1IGF1R
SCHEMBL4077928 0.84 NTRK1 (0.49) NTRK1IGF1R
SCHEMBL220866 0.83 JAK2 (0.61) NTRK1JAK2
SCHEMBL589564 0.82 NTRK1 (0.63) NTRK1IGF1RJAK2
SCHEMBL4073775 0.82 NTRK1 (0.47) NTRK1IGF1RCCNA2CDK2CCNA1
SCHEMBL589514 0.82 NTRK1 (0.51) NTRK1IGF1RJAK2
SCHEMBL4151428 0.82 NTRK1 (0.49) NTRK1IGF1RCCNA2CDK2CCNA1
SCHEMBL4070836 0.81 JAK2 (0.40) NTRK1IGF1RJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
US-20090005396-A1 Use of Pyrazolyl-Pyrimidine Derivatives in the Treatment of Pain ASTRAZENECA AB (SE) 2009-01-01 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-20090005396-A1 Use of Pyrazolyl-Pyrimidine Derivatives in the Treatment of Pain P2RX3, DPYD, TYMP NTRK1 3656/4885IGF1R 4775/4885JAK2 1971/4885

“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.