SCHEMBL19010310

SCHEMBL19010310

COc1cc(Nc2cc(NCc3cccc(F)c3)c(C(C)=O)nn2)ccc1C(=O)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 1/20 0.42
▸ NTRK1 P04629 8/20 0.42
▸ AURKA O14965 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ TYK2 P29597 2/20 0.40
▸ HPGD P15428 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TTK P33981 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL17021334 0.93 RPS6KB1 (0.46) ADORA2BNTRK1AURKARPS6KB1TYK2
SCHEMBL19010312 0.90 ADORA2B (0.44) ADORA2BNTRK1TYK2
SCHEMBL19010298 0.89 NTRK1 (0.48) ADORA2BNTRK1HPGD
SCHEMBL19010311 0.86 NTRK1 (0.51) ADORA2BNTRK1TYK2HPGDALDH1A1
SCHEMBL17021313 0.83 ADORA2B (0.43) ADORA2BNTRK1AURKARPS6KB1
SCHEMBL17021327 0.81 NTRK1 (0.48) ADORA2BNTRK1RPS6KB1HPGD
SCHEMBL19010320 0.80 NTRK1 (0.52) ADORA2BNTRK1ALDH1A1LMNA
SCHEMBL19010316 0.79 GRM5 (0.48) ADORA2BNTRK1TYK2HPGDKDM4E
SCHEMBL19010321 0.79 NTRK1 (0.59) NTRK1TYK2HPGDKDM4EALDH1A1
SCHEMBL17021403 0.78 NTRK1 (0.49) ADORA2BNTRK1RPS6KB1TYK2

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
US-9834548-B2 Pyridazine compounds as JAK inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2017-12-05 — — US disclosed
US-20170174673-A1 PYRIDAZINE COMPOUNDS AS JAK INHIBITORS ALEXION PHARMACEUTICALS, INC. 2017-06-22 — — 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-20170174673-A1 PYRIDAZINE COMPOUNDS AS JAK INHIBITORS JAK1, JAK2, JAK3 ADORA2B 3086/4885NTRK1 1410/4885AURKA 175/4885

“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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