SCHEMBL18783100

SCHEMBL18783100

CNN1CCCC1c1cccc(F)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.54
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.40
PIK3C3 Q8NEB9 2/20 0.40
JAK2 O60674 2/20 0.39
NTRK1 P04629 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL27112626 0.80 CHRNB2 (0.64) RIPK1LMNACHRNB2CHRNB4CHRNA3
SCHEMBL4292933 0.80 CHRNB2 (0.64) RIPK1LMNACHRNB2CHRNB4CHRNA3
SCHEMBL21859861 0.80 CHRNB2 (0.64) RIPK1LMNACHRNB2CHRNB4CHRNA3
SCHEMBL7101650 0.78 JAK2 (0.45) RIPK1JAK2NTRK1CHRNB2CHRNB4
SCHEMBL20703257 0.76 RIPK1 (0.58) RIPK1MAOBMAOATSHRLMNA
SCHEMBL20959170 0.76 RIPK1 (0.58) RIPK1MAOBMAOATSHRLMNA
SCHEMBL21725645 0.76 RIPK1 (0.54) RIPK1MAOBMAOATSHRLMNA
SCHEMBL19275745 0.76 RIPK1 (0.58) RIPK1MAOBMAOATSHRLMNA
SCHEMBL17358800 0.76 RIPK1 (0.61) RIPK1MAOBMAOATSHRLMNA
SCHEMBL4100913 0.76 RIPK1 (0.54) RIPK1MAOBMAOATSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9795611-B2 Method of treatment using substituted imidazo[1,2b]pyridazine compounds ARRAY BIOPHARMA, INC. (US) 2017-10-24 US disclosed
US-9782415-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-10-10 US disclosed
US-20170119770-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-05-04 US disclosed
US-20170112849-A1 Method of Treatment Using Substituted Imidazo[1,2b]Pyridazine Compounds ARRAY BIOPHARMA, INC. 2017-04-27 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 (2 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-20170112849-A1 Method of Treatment Using Substituted Imidazo[1,2b]Pyridazine Compounds COL2A1, COL1A1, IFNAR1 RIPK1 4526/4885MAOB 544/4885MAOA 1452/4885
US-20170119770-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS TXK, FRK, LTK RIPK1 319/4885MAOB 2784/4885MAOA 3192/4885

“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.