SCHEMBL1148266

SCHEMBL1148266

O=C(Nc1c[nH]nn1)Nc1nnn[nH]1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ LMNA P02545 2/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL12057465 0.82 MDM2 (0.33) —
SCHEMBL13715831 0.78 KDM4E (0.51) NPC1RAB9APIM1SMN1; SMN2PIM3
SCHEMBL13715632 0.78 NPC1 (0.58) NPC1RAB9AADORA3PIM1ADORA2A
SCHEMBL13715839 0.75 PIM1 (0.43) PIM1PIM3
SCHEMBL13715594 0.75 GOT1 (0.40) NPC1RAB9AADORA3PIM1ADORA2A
SCHEMBL29245688 0.74 GCK (0.42) RAB9ASMN1; SMN2
SCHEMBL13686685 0.74 — —
SCHEMBL10912483 0.72 NPC1 (0.58) NPC1RAB9AADORA3PIM1ADORA2A
SCHEMBL13715672 0.72 SMN1; SMN2 (0.57) NPC1RAB9AADORA3PIM1ADORA2A
SCHEMBL10380209 0.72 ALDH1A1 (0.36) SMN1; SMN2

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-8084619-B2 Gas generant compositions TK HOLDINGS, INC. (US) 2011-12-27 — — US disclosed
US-20110046390-A1 Gas Generant Compositions GANTA SUDHAKAR R 2011-02-24 — — US disclosed
US-7847102-B2 generating fuel, is defined as a compound having the structural formula of R3 R1 R2, wherein R1 is a urea group, R2 is a tetrazolyl group with a C N bond to the urea group, and R3 may be defined as a non-tetrazolyl, triazolyl, heterocyclic, heterocyclic amine, aliphatic, aliphatic amine, aryl, alkyl, TK HOLDINGS, INC. (US) 2010-12-07 — — US disclosed
EP-2021306-A2 GAS GENERANT COMPOSITIONS TK Holdings Inc. (US) 2009-02-11 — — EP disclosed
US-20080154044-A1 Gas generant compositions JOYSON SAFETY SYSTEMS ACQUISITION LLC 2008-06-26 — — US disclosed
WO-2007130676-A2 GAS GENERANT COMPOSITIONS TK HOLDINGS, INC. (US) 2007-11-15 — — 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 (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-20080154044-A1 Gas generant compositions GPR139, CBR1, UQCRB NPC1 2153/4885RAB9A 2230/4885ADORA3 1466/4885
US-20110046390-A1 Gas Generant Compositions GPR139, CBR1, UQCRB NPC1 2153/4885RAB9A 2230/4885ADORA3 1466/4885

“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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