SCHEMBL302642

SCHEMBL302642

Cc1nc2ncnn2c(N)c1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MBOAT4 Q96T53 16/20 0.50
▸ DGAT1 O75907 1/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL10372114 0.83 NPC1 (0.56) MBOAT4NPC1RAB9AALDH1A1MAPT
SCHEMBL373769 0.77 MAP3K14 (0.48) MBOAT4RAB9AALDH1A1HPGDMEN1
SCHEMBL14491955 0.74 MBOAT4 (0.48) MBOAT4ALDH1A1KMT2A
SCHEMBL3629813 0.73 MBOAT4 (0.39) MBOAT4NPC1RAB9AMEN1KMT2A
SCHEMBL3629809 0.73 MBOAT4 (0.45) MBOAT4
SCHEMBL14503825 0.73 MBOAT4 (0.46) MBOAT4ALDH1A1
SCHEMBL14491199 0.72 ALDH1A1 (0.49) MBOAT4ALDH1A1
SCHEMBL14373948 0.72 USP2 (0.48) MBOAT4NPC1ALDH1A1MAPTMEN1
SCHEMBL14490818 0.71 KDM4E (0.56) MBOAT4NPC1RAB9AALDH1A1HPGD
SCHEMBL22968432 0.71 TSHR (0.50) MBOAT4ALDH1A1

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 308 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2489262-B1 PESTICIDAL MIXTURES COMPRISING AN ANTHRANILAMIDE INSECTICIDE AND A FUNGICIDE BASF SE (DE) 2018-11-14 — — EP claimed
US-20150080215-A1 TERNARY PESTICIDAL MIXTURES BASF SE (DE) 2015-03-19 — — US claimed
EP-2066177-B1 FUNGICIDAL MIXTURES OF 1-METHYLPYRAZOLE-4-YLCARBOXYLIC ACID ANILIDES AND AZOLOPYRIMIDINYLAMINES BASF SE (DE) 2014-12-24 — — EP claimed
US-20140179518-A1 Pesticidal Mixtures Comprising Cyanosulfoximine Compounds BASF SE (DE) 2014-06-26 — — US claimed
US-20140155263-A1 Fungicidal Mixtures Based on Azolopyrimidinylamines BASF SE (DE) 2014-06-05 — — US claimed
US-20130267414-A1 PESTICIDAL MIXTURES BASF SE (DE) 2013-10-10 — — US claimed
US-8461077-B2 Combinations of active substances BASF SE (DE) 2013-06-11 — — US claimed
US-20130137571-A1 Crystalline Modification of Fipronil BASF SE (DE) 2013-05-30 — — US claimed
EP-2552213-A2 FUNGICIDAL MIXTURES BASED ON AZOLOPYRIMIDINYLAMINES BASF SE (DE) 2013-02-06 — — EP claimed
US-20130023412-A1 Fungicidal Mixtures Based on Azolopyrimidinylamines BASF SE (DE) 2013-01-24 — — US claimed
WO-2008148859-A2 FUNGICIDAL MIXTURES BASF SE (DE) 2008-12-11 — — WO claimed
WO-2008116730-A1 COMBINATIONS OF ACTIVE SUBSTANCES BASF SE (DE) 2008-10-02 — — WO claimed
US-20080234295-A1 Fungicidal Mixtures Based on Azolopyrimidinylamines BASF AKTIENGELSELLSCHAFT (DE) 2008-09-25 — — US claimed
WO-2008095913-A2 PESTICIDAL MIXTURES BASF SE (DE) 2008-08-14 — — WO claimed
WO-2008092836-A2 METHOD FOR IMPROVING PLANT HEALTH BASF SE (DE) 2008-08-07 — — WO claimed
WO-2008087182-A2 FUNGICIDAL MIXTURES OF 1-METHYLPYRAZOLE-4-YLCARBOXYLIC ACID ANILIDES AND AZOLOPYRIMIDINYLAMINES BASF SE (DE) 2008-07-24 — — WO claimed
EP-1909579-A1 FUNGICIDAL MIXTURES BASED ON AZOLOPYRIMIDINYLAMINES BASF SE (DE) 2008-04-16 — — EP claimed
WO-2008034785-A2 PESTICIDAL MIXTURES COMPRISING AN ANTHRANILAMIDE INSECTICIDE AND A FUNGICIDE BASF SE (DE) 2008-03-27 — — WO claimed
WO-2008034787-A2 PESTICIDAL MIXTURES COMPRISING AN ANTHRANILAMIDE INSECTICIDE AND A FUNGICIDE BASF SE (DE) 2008-03-27 — — WO claimed
WO-2007012598-A1 FUNGICIDAL MIXTURES BASED ON AZOLOPYRIMIDINYLAMINES BASF AKTIENGESELLSCHAFT (DE) 2007-02-01 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20130023412-A1 Fungicidal Mixtures Based on Azolopyrimidinylamines DDT, AS3MT, AADAC MBOAT4 3557/4885DGAT1 2021/4885NPC1 4189/4885
US-20130267414-A1 PESTICIDAL MIXTURES AADAC, CTRL, AAAS MBOAT4 3142/4885DGAT1 4270/4885NPC1 3344/4885
US-20140155263-A1 Fungicidal Mixtures Based on Azolopyrimidinylamines DDT, STS, ARSA MBOAT4 4718/4885DGAT1 4333/4885NPC1 4721/4885
US-20140179518-A1 Pesticidal Mixtures Comprising Cyanosulfoximine Compounds CPN1, SRM, STS MBOAT4 3539/4885DGAT1 4330/4885NPC1 3572/4885
US-20080234295-A1 Fungicidal Mixtures Based on Azolopyrimidinylamines DDT, STS, ARSA MBOAT4 4718/4885DGAT1 4333/4885NPC1 4721/4885
US-20130137571-A1 Crystalline Modification of Fipronil FIP1L1, PTMS, FIBP MBOAT4 4595/4885DGAT1 4106/4885NPC1 2822/4885
US-20150080215-A1 TERNARY PESTICIDAL MIXTURES AADAC, AS3MT, DDT MBOAT4 3224/4885DGAT1 3206/4885NPC1 2458/4885

“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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