SCHEMBL4900517

SCHEMBL4900517

C[C@H](Nc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(C2CC2)cn1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 11/20 0.82
IGF1R P08069 8/20 0.59
JAK2 O60674 1/20 0.55
PAK3 O75914 2/20 0.53
PAK1 Q13153 2/20 0.53
PAK2 Q13177 2/20 0.53

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
SCHEMBL3039039 0.90 NTRK1 (1.00) NTRK1IGF1RJAK2
SCHEMBL3028856 0.90 NTRK1 (1.00) NTRK1IGF1RJAK2
SCHEMBL3033789 0.90 NTRK1 (0.80) NTRK1IGF1RJAK2PAK3PAK1
SCHEMBL3029858 0.85 NTRK1 (0.79) NTRK1IGF1RJAK2PAK3PAK1
SCHEMBL3040607 0.85 NTRK1 (0.79) NTRK1IGF1RJAK2PAK3PAK1
SCHEMBL3028618 0.85 NTRK1 (0.79) NTRK1IGF1RJAK2PAK3PAK1
SCHEMBL4072338 0.84 NTRK1 (0.79) NTRK1IGF1R
SCHEMBL3338062 0.84 NTRK1 (0.79) NTRK1IGF1R
SCHEMBL4064474 0.84 NTRK1 (0.79) NTRK1IGF1R
SCHEMBL29794741 0.84 NTRK1 (0.79) NTRK1IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287437-A1 Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors ASTRAZENECA AB (SE) 2008-11-20 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-20080287437-A1 Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors ABL1, FLT3, ERBB2 NTRK1 574/4885IGF1R 407/4885JAK2 32/4885

“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.