Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL19740971

COc1cc(F)ccc1-c1ncncn1.N

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 7/20 0.44
CDK9 P50750 7/20 0.44
CDK2 P24941 6/20 0.44
CCNE1 P24864 5/20 0.44
KCNH2 Q12809 5/20 0.43
CCNE2 O96020 2/20 0.42
CCNA2 P20248 2/20 0.41
SCN9A Q15858 1/20 0.41
CCNK O75909 1/20 0.41
CDK1 P06493 1/20 0.41
YES1 P07947 1/20 0.41
LYN P07948 1/20 0.41
FGR P09769 1/20 0.41
SRC P12931 1/20 0.41
CCNB1 P14635 1/20 0.41
EPHA1 P21709 1/20 0.41
ABL2 P42684 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
IRAK1 P51617 1/20 0.41

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
SCHEMBL15464143 0.98 CCNT1 (0.45) CCNT1CDK9CDK2CCNE1KCNH2
SCHEMBL28036711 0.81 CYP1A1 (0.51) CYP2D6
SCHEMBL174453 0.78 CYP1A2 (0.54) CYP2D6
SCHEMBL14062164 0.78 CCNT1 (0.50) CCNT1CDK9CDK2CCNE1CCNE2
SCHEMBL532852 0.76 SCN9A (0.36) SCN9A
SCHEMBL11425087 0.74 CYP11B1 (0.55) CDK2KCNH2GSK3BCYP2D6GRIN2B
SCHEMBL30777916 0.71 CYP1A2 (0.48) CCNT1CDK9KCNH2CYP2D6
SCHEMBL2812677 0.71 ALDH1A1 (0.51) CCNT1CDK9CDK2CCNE1KCNH2
SCHEMBL8514899 0.71 CYP1A2 (0.48) CCNT1CDK9KCNH2CYP2D6
SCHEMBL27939192 0.71 KCNH2 (0.43) CCNT1CDK9CDK2KCNH2CDK1

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-20180050040-A1 USE OF 4-(4-FLUORO-2-METHOXYPHENYL)-N--1,3,5-TRIAZIN-2-AMINE FOR TREATING LYMPHOMAS Bayer Pharma AG (DE) 2018-02-22 US disclosed
US-20170368069-A1 USE OF 4-(4-FLUORO-2-METHOXYPHENYL)-N--1,3,5-TRIAZIN-2-AMINE FOR TREATING LEUKEMIAS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-12-28 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-20170368069-A1 USE OF 4-(4-FLUORO-2-METHOXYPHENYL)-N--1,3,5-TRIAZIN-2-AMINE FOR TREATING LEUKEMIAS MCL1, ABL1, NPM1 CCNT1 1004/4885CDK9 896/4885CDK2 384/4885
US-20180050040-A1 USE OF 4-(4-FLUORO-2-METHOXYPHENYL)-N--1,3,5-TRIAZIN-2-AMINE FOR TREATING LYMPHOMAS MALT1, BCL6, BCL3 CCNT1 260/4885CDK9 1445/4885CDK2 1143/4885

“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.