SCHEMBL18502901

SCHEMBL18502901

Cc1ccccc1-c1cnnc(C2CCCN(c3cnccn3)C2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 1.00
KMT2A Q03164 4/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAP4K4 O95819 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
DGAT2 Q96PD7 1/20 0.38
USP1 O94782 1/20 0.37
WDR48 Q8TAF3 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
SCHEMBL18489932 0.86 CYP11B2 (0.75) CYP11B2KDM4EDGAT2
SCHEMBL17207692 0.72 CYP11B2 (0.56) CYP11B2
SCHEMBL18502903 0.70 CYP11B2 (0.53) CYP11B2USP1WDR48
SCHEMBL14177933 0.68 CYP11B2 (0.49) CYP11B2KMT2AATMKDM4EMAP4K4
SCHEMBL23498149 0.63 KMT2A (0.48) KMT2AATMMAP4K4
SCHEMBL15029579 0.63 KMT2A (0.48) KMT2AATMMAP4K4
SCHEMBL18997049 0.62 POLB (0.46) CYP11B2KMT2AATMKDM4E
SCHEMBL4019738 0.62 ROCK2 (0.48) CYP11B2KMT2AATMCHRM2CHRM4
SCHEMBL21776395 0.62 TDP1 (0.47) CYP11B2KMT2AATMKDM4EMAP4K4
SCHEMBL25065356 0.62 KMT2A (0.46) CYP11B2KMT2AATMKDM4E

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-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
EP-3135668-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2017-03-01 EP 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 19/4885KMT2A 2546/4885ATM 4738/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 CYP11B2 17/4885KMT2A 2905/4885ATM 4801/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 CYP11B2 19/4885KMT2A 2546/4885ATM 4738/4885

“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.