SCHEMBL18502903

SCHEMBL18502903

Cc1ccccc1-c1cnnc(C2CCCNC2)n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.53
IKBKB O14920 3/20 0.41
USP1 O94782 1/20 0.41
WDR48 Q8TAF3 1/20 0.41
ACP1 P24666 1/20 0.40
CHEK1 O14757 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
IDO1 P14902 1/20 0.38
METAP2 P50579 1/20 0.38

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
SCHEMBL171361 0.77 IKBKB (0.46) IKBKBACP1CHEK1CCNA2CDK2
SCHEMBL18489932 0.73 CYP11B2 (0.75) CYP11B2
SCHEMBL5787962 0.72 ADORA2A (0.48) IKBKBACP1
SCHEMBL14339737 0.71 IKBKB (0.48) IKBKBUSP1WDR48ACP1CHEK1
SCHEMBL18502901 0.70 CYP11B2 (1.00) CYP11B2USP1WDR48
SCHEMBL17207692 0.69 CYP11B2 (0.56) CYP11B2
SCHEMBL7470322 0.69 DRD2 (0.44) CHEK1CCNA2CDK2CCNA1
SCHEMBL20609687 0.69 DRD2 (0.44) CHEK1CCNA2CDK2CCNA1
Hydrochloric Acid SCHEMBL4130390 0.68 S1PR1 (0.51)
Hydrochloric Acid SCHEMBL4130385 0.68 S1PR1 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329263-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-25 US disclosed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 US disclosed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 US disclosed
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 US disclosed
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 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 (3 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-10329263-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 CYP11B2 19/4885IKBKB 1304/4885USP1 1135/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 CYP11B2 17/4885IKBKB 1205/4885USP1 1239/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 CYP11B2 19/4885IKBKB 1304/4885USP1 1135/4885

“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.