SCHEMBL1392337

SCHEMBL1392337

CCOc1nc(Nc2ccc3nc(C)sc3c2)nc(NC(C)C2CCNCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 6/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PDE4B Q07343 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CDK2 P24941 1/20 0.36
▸ MAPKAPK2 P49137 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL1392122 0.83 MEN1 (0.54) NPC1RAB9ARXFP1MEN1KMT2A
SCHEMBL1391947 0.77 IDH2 (0.52) MAPTLMNA
SCHEMBL1391263 0.76 POLB (0.51) NPC1RAB9ARXFP1MEN1KMT2A
SCHEMBL1391837 0.76 MEN1 (0.46) NPC1RAB9ARXFP1MEN1KMT2A
SCHEMBL1392328 0.74 CYP3A4 (0.43) NPC1RAB9ARXFP1MEN1KMT2A
SCHEMBL1390767 0.71 MAPT (0.63) NPC1RAB9ARXFP1MEN1KMT2A
SCHEMBL1392005 0.69 MAPK1 (0.56) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL1391541 0.67 IDH2 (0.58) MAPTLMNA
SCHEMBL1391338 0.66 KDM4E (0.61) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL1392162 0.64 MAPT (0.63) MEN1KMT2AKDM4EMAPTLMNA

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 NPC1 196/4885RAB9A 2965/4885RXFP1 4672/4885

“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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