SCHEMBL19010318

SCHEMBL19010318

CC(=O)c1nnc(Nc2ncc(C(=O)N3CCOCC3)s2)cc1NCc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 10/20 0.46
▸ STAT6 P42226 1/20 0.41
▸ CCNT1 O60563 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ ADORA2B P29275 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KDR P35968 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ NTRK3 Q16288 1/20 0.37
▸ NTRK2 Q16620 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
SCHEMBL17021271 0.92 NTRK1 (0.46) NTRK1STAT6CCNT1CDK9ADORA2B
SCHEMBL19010321 0.83 NTRK1 (0.59) NTRK1STAT6KDM4EMAPT
SCHEMBL19010314 0.79 STAT6 (0.52) NTRK1STAT6CCNT1CDK9SRC
SCHEMBL19010269 0.79 STAT6 (0.57) NTRK1STAT6CCNT1CDK9SRC
SCHEMBL19010295 0.78 KCNH2 (0.45) NTRK1STAT6
SCHEMBL19010304 0.78 STAT6 (0.46) NTRK1STAT6CCNT1CDK9SRC
SCHEMBL19010316 0.77 GRM5 (0.48) NTRK1ADORA2BKDM4E
SCHEMBL19010302 0.76 MAPK10 (0.47) NTRK1STAT6CCNT1CDK9KDM4E
SCHEMBL19010311 0.76 NTRK1 (0.51) NTRK1ADORA2BNTRK3NTRK2
SCHEMBL17021272 0.75 NTRK1 (0.59) NTRK1STAT6MAPT

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 NTRK1 1410/4885STAT6 8/4885CCNT1 1331/4885

“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.

Send feedback