SCHEMBL1392328

SCHEMBL1392328

CCOc1nc(NCC2CCN(C)CC2)nc(Nc2ccc3nc(C)sc3c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ P2RX3 P56373 3/20 0.41
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ BACE1 P56817 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 4/20 0.38
▸ HSD17B10 Q99714 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ USP2 O75604 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
SCHEMBL1391837 0.87 MEN1 (0.46) CYP3A4CYP2D6CYP2C9MEN1KMT2A
SCHEMBL1392122 0.83 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1391263 0.77 POLB (0.51) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1391944 0.76 IDH2 (0.60) MAPTSMN1; SMN2USP2LMNA
SCHEMBL1390767 0.75 MAPT (0.63) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1392337 0.74 NPC1 (0.40) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1392051 0.71 TSHR (0.50) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1391429 0.69 MAPT (0.59) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL25214569 0.68 DYRK1A (0.43) LMNA
SCHEMBL30348557 0.68 DYRK1A (0.43) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof PROGENICS PHARMACEUTICALS, INC. (US) 2012-01-12 — — US disclosed
EP-2231624-A2 TRIAZINES AND RELATED COMPOUNDS HAVING ANTIVIRAL ACTIVITY, COMPOSITIONS AND METHODS THEREOF Progenics Pharmaceuticals, Inc. (US) 2010-09-29 — — EP disclosed
WO-2009091388-A2 TRIAZINES AND RELATED COMPOUNDS HAVING ANTIVIRAL ACTIVITY, COMPOSITIONS AND METHODS THEREOF PROGENICS PHARMACEUTICALS, INC. (US) 2009-07-23 — — WO 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-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof HAVCR2, ZC3HAV1, MAVS CYP3A4 505/4885CYP2D6 2610/4885CYP2C9 1166/4885

“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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