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Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL1016316

COc1cc(-c2c[nH]nc2-c2ccncc2)ccc1F.N

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP17A1 P05093 1/20 0.39
▸ PHF8 Q9UPP1 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ MAPK14 Q16539 3/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ GCGR P47871 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ GRM4 Q14833 1/20 0.38
▸ TEK Q02763 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ BRAF P15056 1/20 0.37
▸ BUB1 O43683 1/20 0.37
▸ MAPK13 O15264 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ SLC6A2 P23975 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
Ammonia Solution, Strong SCHEMBL1018877 0.84 DYRK1A (0.47) KITPIK3CAMAPK14SLC2A1GCGR
SCHEMBL5348452 0.77 CYP11B2 (0.44) CYP17A1MAPK14GCGRTEKMAPK13
SCHEMBL6077530 0.75 MAPK14 (0.53) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL1554633 0.75 MAPK14 (0.53) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL5451902 0.74 IMPDH2 (0.44) MAPK14BRAFMAPK13ADORA2AADORA1
SCHEMBL1016280 0.74 LRRK2 (0.46) PIK3CAALDH1A1CYP17A1PHF8PAX8
Hydrochloric Acid SCHEMBL1554763 0.74 MAPK14 (0.51) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL28806715 0.73 TUBB4A (0.52) KITALDH1A1
SCHEMBL30443819 0.73 TLR8 (0.43) KITPIK3CAALDH1A1MAPK14SLC2A1
SCHEMBL6078860 0.72 GCGR (0.49) MAPK14GCGRMAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271649-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF Wyeth LLC (US) 2011-01-12 — — EP disclosed
US-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof WYETH (US) 2010-02-04 — — US disclosed
WO-2009108838-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-03 — — WO 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-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof BRAF, RAF1, ARAF KIT 544/4885PIK3CA 123/4885ALDH1A1 1029/4885

“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.