Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL5014629

N.NS(=O)(=O)c1ccc(Nc2ncc(F)c(-c3ccc(CCCF)cc3)n2)cc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.58
CDK1 P06493 6/20 0.58
CCNB1 P14635 5/20 0.58
CCNB2 O95067 4/20 0.58
CDK5 Q00535 4/20 0.58
CDK5R1 Q15078 4/20 0.58
CCNB3 Q8WWL7 4/20 0.58
CCNE2 O96020 4/20 0.58
CCNE1 P24864 4/20 0.58
CCNT1 O60563 4/20 0.58
CDK9 P50750 4/20 0.58
KDR P35968 1/20 0.56
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
CCNA2 P20248 2/20 0.47
CDK4 P11802 1/20 0.47
CDK6 Q00534 1/20 0.47
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46

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
SCHEMBL1197602 0.87 AURKA (0.60) CDK2CDK1CCNB1CCNB2CDK5
SCHEMBL4008247 0.84 AURKA (0.59) CDK2CDK1CCNB1CCNB2CDK5
SCHEMBL28059063 0.83 CDK1 (0.54) CDK2CDK1CCNB1CCNB2CDK5
SCHEMBL3996202 0.78 JAK3 (0.60) CDK2CDK1CCNB1CCNB2CDK5
SCHEMBL4001420 0.78 AURKA (0.59) CDK2CDK1CCNB1CCNB2CDK5
SCHEMBL12749886 0.77 AURKA (0.45) CDK2CDK1CCNB1CCNB2CDK5
SCHEMBL3997330 0.77 AURKA (0.58) CDK2CDK1CCNB1CCNB2CDK5
SCHEMBL4006193 0.75 JAK3 (0.59) CDK2CDK1CCNB1CCNB2CDK5
SCHEMBL4002720 0.74 SYK (0.64) CDK2CDK1CDK5CCNE1CCNT1
SCHEMBL4003171 0.74 AURKA (0.52) CDK2CDK1CCNB1CCNB2CDK5

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-9593082-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2017-03-14 US disclosed
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-09-11 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-20080221089-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 CDK2 986/4885CDK1 537/4885CCNB1 4057/4885

“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.