Sugi Predict

Sugi Predict / Compounds / SCHEMBL9984648

SCHEMBL9984648

SCHEMBL9984648

O=C(Nc1cc(-c2cc(Nc3cnccn3)c(=O)[nH]n2)ccc1F)c1cc2c(s1)CCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 13/20 0.49
▸ RAB9A P51151 7/20 0.40
▸ NPC1 O15118 6/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ HPGD P15428 4/20 0.39
▸ TSHR P16473 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ HTT P42858 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
SCHEMBL9984355 0.89 BTK (0.54) BTKRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL9984360 0.88 BTK (0.52) BTKRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL19971524 0.87 BTK (0.50) BTKRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL9985266 0.86 BTK (0.51) BTKRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2494710 0.85 BTK (0.51) BTKRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2492538 0.84 BTK (0.51) BTKRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2491965 0.83 BTK (0.57) BTKRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL19981656 0.83 BTK (0.35) BTKRAB9ANPC1ALDH1A1KDM4E
SCHEMBL2494292 0.82 BTK (0.52) BTKRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL9983983 0.81 BTK (0.52) BTKFGRSRCTECBMX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598174-B2 Pyridazinones, method of making, and method of use thereof GENETECH, INC. (US) 2013-12-03 — — US claimed
EP-2365970-B1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2018-03-21 — — EP disclosed
US-8598174-B2 Pyridazinones, method of making, and method of use thereof GENETECH, INC. (US) 2013-12-03 — — US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 — — US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 — — US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 — — 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-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, LCK BTK 1/4885RAB9A 3665/4885NPC1 3233/4885

“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.