SCHEMBL1391837

SCHEMBL1391837

CCOc1nc(Nc2ccc3nc(C)sc3c2)nc(NC2CCN(C)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ IDH2 P48735 1/20 0.46
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ P2RX3 P56373 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ BACE1 P56817 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ HPGD P15428 2/20 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
SCHEMBL1392328 0.87 CYP3A4 (0.43) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1392122 0.85 MEN1 (0.54) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1392051 0.80 TSHR (0.50) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1391632 0.78 PDE4B (0.64) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1391263 0.78 POLB (0.51) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1392337 0.76 NPC1 (0.40) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1391540 0.76 IDH2 (0.81) SMN1; SMN2MAPTIDH2LMNA
Hydrochloric Acid SCHEMBL1391637 0.75 IDH2 (0.79) SMN1; SMN2MAPTIDH2LMNA
Hydrochloric Acid SCHEMBL3103521 0.75 IDH2 (0.79) SMN1; SMN2MAPTIDH2LMNA
SCHEMBL1390767 0.73 MAPT (0.63) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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 MEN1 4840/4885KMT2A 4066/4885KDM4E 3281/4885

“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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