SCHEMBL4293207

SCHEMBL4293207

CCN1CCCC1c1cc(F)cc(OCCN2CCOCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.53
▸ NTRK1 P04629 2/20 0.53
▸ HRH3 Q9Y5N1 6/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ SCN1A P35498 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ SCN2A Q99250 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ SCN3A Q9NY46 1/20 0.40

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
SCHEMBL4106380 0.88 JAK2 (0.53) JAK2NTRK1HRH3SLC6A4NPC1
SCHEMBL4104900 0.86 JAK2 (0.50) JAK2NTRK1HRH3SLC6A4NPC1
SCHEMBL22382687 0.82 JAK2 (0.50) JAK2NTRK1
SCHEMBL16429280 0.81 L3MBTL3 (0.40) JAK2NTRK1HRH3SLC6A4HTR2A
SCHEMBL1075746 0.77 JAK2 (0.55) JAK2NTRK1HRH3SLC6A4ALDH1A1
SCHEMBL19560119 0.76 JAK2 (0.44) JAK2NTRK1HRH3NPC1ALDH1A1
SCHEMBL4306311 0.74 NPC1 (0.49) HRH3NPC1ALDH1A1KDM4EMAPK1
SCHEMBL12943762 0.74 POLB (0.57) HRH3NPC1ALDH1A1KDM4EMAPK1
SCHEMBL4100620 0.73 NPC1 (0.48) HRH3NPC1ALDH1A1KDM4EMAPK1
SCHEMBL4301490 0.72 JAK2 (0.56) JAK2NTRK1

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-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-05-03 — — 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-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS FRK, TXK, TNNI3K JAK2 143/4885NTRK1 8/4885HRH3 976/4885

“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.

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