SCHEMBL18502896

SCHEMBL18502896

Cc1ccc(-c2cnnc(N3CCNCC3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ MAPT P10636 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ CYP11B2 P19099 11/20 0.50
▸ HTR1A P08908 2/20 0.48
▸ HTR1D P28221 2/20 0.48
▸ HTR1B P28222 2/20 0.48
▸ HTR7 P34969 2/20 0.48
▸ HTR2B P41595 2/20 0.48
▸ HTR6 P50406 2/20 0.48
▸ HTR5A P47898 1/20 0.48
▸ ADRB1 P08588 1/20 0.46
▸ HTR2A P28223 1/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL17207718 0.86 CYP11B2 (0.59) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20402779 0.85 ALDH1A1 (0.73) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL18508207 0.82 CYP11B2 (0.55) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL18502904 0.78 CYP11B2 (0.66) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4816380 0.77 KMT2A (0.64) ALDH1A1MAPTSMN1; SMN2ADRB1KMT2A
SCHEMBL18502843 0.77 SCD (0.46) ALDH1A1SMN1; SMN2HTR1AADRB1HTR2A
SCHEMBL17207648 0.77 CYP11B2 (0.58) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL18502895 0.76 CYP11B2 (0.68) CYP11B2
SCHEMBL22236781 0.75 ROCK2 (0.58) ALDH1A1HTR1AHTR1DHTR1BHTR7
SCHEMBL4582837 0.74 HTR1A (0.54) ALDH1A1MAPTHTR1AHTR1DHTR1B

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-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

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-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 ALDH1A1 80/4885MAPT 4101/4885SMN1; SMN2 4406/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 ALDH1A1 68/4885MAPT 4335/4885SMN1; SMN2 4354/4885

“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.

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