SCHEMBL790022

SCHEMBL790022

Cc1n[c]cc(C(F)(F)F)n1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35

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
SCHEMBL789989 0.76
SCHEMBL5677116 0.76
SCHEMBL3289407 0.75
SCHEMBL7959014 0.75
SCHEMBL797777 0.74 CYP3A4 (0.36)
SCHEMBL7954458 0.74
SCHEMBL1671927 0.74 ALDH1A1 (0.42)
SCHEMBL7945725 0.74 KDM4E (0.33)
SCHEMBL8487725 0.72 KCNH2 (0.30)
SCHEMBL8502472 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5326767-A α-arylacrylates substituted by a heterocyclic radical, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1994-07-05 US claimed
US-5194438-A Plant safe fungicides BASF AKTIENGESELLSCHAFT (DE) 1993-03-16 US claimed
CN-115124475-A Pyrimidine derivative and preparation method and application thereof 贵阳学院 2022-09-30 CN disclosed
EP-2550264-B1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2016-06-08 EP disclosed
US-9040537-B2 Pyridazine compounds for controlling invertebrate pests BASF SE (DE) 2015-05-26 US disclosed
EP-2615917-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2013-07-24 EP disclosed
US-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III BASF SE (DE) 2013-07-11 US disclosed
EP-2550264-A1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2013-01-30 EP disclosed
US-20130012380-A1 Pyridazine Compounds For Controlling Invertebrate Pests BASF SE (DE) 2013-01-10 US disclosed
WO-2012034959-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2012-03-22 WO disclosed
WO-2011117286-A1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2011-09-29 WO disclosed
WO-2006066799-A1 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed
WO-2005080396-A2 AZOLOPYRIMIDINE COMPOUNDS AND USE THEREOF FOR COMBATING PARASITIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2005-09-01 WO disclosed
US-6211190-B1 Pyrimidine derivatives, process and intermediate products for their preparation and pesticides or fungicides containing these derivatives BASF AKTIENGESELLSCHAFT (DE) 2001-04-03 US disclosed
US-6200997-B1 CYCLIZATION TO GIVE OXAZOLIDINEDIONES AND TRIAZOLIDINEDIONES BASF AKTIENGESELLSCHAFT (DE) 2001-03-13 US disclosed
CN-1187814-A (hetero) aryloxy-, -thio-and-aminocrotonates, preparation and use thereof BASF AG (DE) 1998-07-15 CN disclosed
CN-1161687-A Phenylacetic acid alkyl esters BASF AG (DE) 1997-10-08 CN disclosed
US-5554578-A Oxime ether derivatives, their preparation and fungicides containing these derivatives BASF AKTIENGESELLSCHAFT (DE) 1996-09-10 US disclosed
US-5468717-A Oxime ether derivatives, their preparation and fungicides containing these derivatives BASF AKTIENGESELLSCHAFT (DE) 1995-11-21 US disclosed
US-5334577-A 2-(substituted pyridy-oxymethyl)-phenylglyoxylate alkyloxime BASF AKTIENGESELLSCHAFT (DE) 1994-08-02 US 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-20130012380-A1 Pyridazine Compounds For Controlling Invertebrate Pests GRIN2C, GRIN2A, NR2C2 HSP90AA1 3470/4885HSP90AB1 3673/4885
US-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III CHRM1, CHRM2, GRIN2C HSP90AA1 2566/4885HSP90AB1 2975/4885

“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.