SCHEMBL4855602

SCHEMBL4855602

N#Cc1ccn(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ MAPT P10636 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 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
SCHEMBL27332844 0.81 KMT2A (0.49) MAPTALDH1A1NPSR1HTTL3MBTL1
Hydrochloric Acid SCHEMBL27337866 0.81 PRMT5 (0.36) CYP2C9TSHRMAPTALDH1A1LMNA
SCHEMBL30535515 0.79 MAOA (0.46) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL25351991 0.79 MAOA (0.46) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL27313258 0.78 MAPKAPK2 (0.48) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL18865780 0.77 LOXL2 (0.44) GRM5
SCHEMBL28287783 0.77 NOTUM (0.47) MAPTALDH1A1LMNANPSR1L3MBTL1
SCHEMBL7674620 0.74 GRM5 (0.56) ALDH1A1SMN1; SMN2GRM5NPC1RAB9A
SCHEMBL27330187 0.74 HTT (0.60) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL28287787 0.73 HPN (0.49) TSHRMAPTALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101965350-A Novel pyrazolo [3,4-d ] pyrimidine derivatives as anticancer agents NATCO PHARMA LTD 2011-02-02 — — CN claimed
CN-101070305-B Process for producing N-phenylpyrazolecarbonitrile LIANYUNGANG SINOCHEM CHEMICALS CO., LTD. (CN) 2012-02-22 — — CN disclosed
CN-101965350-A Novel pyrazolo [3,4-d ] pyrimidine derivatives as anticancer agents NATCO PHARMA LTD 2011-02-02 — — CN disclosed
US-7371768-B2 Pyrazol derivatives, pest control agent comprising the same as active ingredient, and process for producing the same NIHON NOHYAKU CO., LTD. (JP) 2008-05-13 — — US disclosed
CN-101070305-A Process for producing N-phenylpyrazolecarbonitrile LIANYUNGANG ZHONGHUA CHEMICAL (CN) 2007-11-14 — — CN disclosed
EP-1197492-B1 PYRAZOLE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME, AND PESTICIDES CONTAINING THE SAME AS THE ACTIVE INGREDIENT NIHON NOHYAKU CO LTD (JP) 2007-09-05 — — EP disclosed
EP-1310497-B1 PYRAZOLE DERIVATIVE, PEST CONTROL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT AND PROCESS FOR PRODUCING THE SAME NIHON NOHYAKU CO LTD (JP) 2006-03-01 — — EP disclosed
US-6849633-B2 Pyrazole derivative, production process thereof, and pest control agent containing the same as active ingredient NIHON NOHYAKU CO., LTD. (JP) 2005-02-01 — — US disclosed
US-20040053969-A1 Pyrazol derivatives, pest control agent comprising the same as active ingredient, and process for producing the same NIHON NOHYAKU CO., LTD. (JP) 2004-03-18 — — US disclosed
JP-2004018487-A NOXIOUS ORGANISM CONTROLLING AGENT COMPOSITION AND NOXIOUS ORGANISM CONTROLLING METHOD SUMITOMO CHEM CO LTD 2004-01-22 — — JP disclosed
EP-1197492-A1 PYRAZOLE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME, AND PESTICIDES CONTAINING THE SAME AS THE ACTIVE INGREDIENT MITSUBISHI CHEMICAL CORPORATION (JP) 2002-04-17 — — EP disclosed
US-20020016468-A1 PESTICIDAL 1-ARYLPYRAZOLE DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 2002-02-07 — — US disclosed
US-6162820-A Method for removing parasites and in particular ectoparasites of vertebrates, in particular of mammals, and compositions for the implementation of this method MERIAL (FR) 2000-12-19 — — US disclosed
EP-0948487-A1 PESTICIDAL 1-ARYL AND PYRIDYLPYRAZOLE DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 1999-10-13 — — EP disclosed
WO-1998028279-A1 PESTICIDAL 1-ARYL AND PYRIDYLPYRAZOLE DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 1998-07-02 — — WO disclosed
WO-1998002042-A1 METHODS FOR ELIMINATING PARASITES AND IN PARTICULAR ECTOPARASITES OF VERTEBRATES, PARTICULARLY OF MAMMALS AND COMPOSITIONS FOR IMPLEMENTING THESE METHODS MERIAL (FR) 1998-01-22 — — WO disclosed
US-5707934-A Plant growth regulation using 3-cyano-1-phenylpyrazoles such as fipronil RHONE-POULENC INC. (US) 1998-01-13 — — US disclosed
US-5691333-A APPLYING TO CONTROL ARTHROPODS AND NEMATODES RHONE-POULENC INC. (US) 1997-11-25 — — US disclosed
US-5629335-A Pesticidal 1-arylpyrazole-3-carboximidothioic acid esters RHONE-POULENC INC. (US) 1997-05-13 — — US disclosed
US-5585329-A Plant growth promotion using 3-cyano-1-phenylpyrazoles such as fipronil RHONE-POULENC INC. (US) 1996-12-17 — — 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-20040053969-A1 Pyrazol derivatives, pest control agent comprising the same as active ingredient, and process for producing the same CTRL, AADAC, CBR3 CYP2C9 99/4885TSHR 2185/4885MAPT 4791/4885
US-20020016468-A1 PESTICIDAL 1-ARYLPYRAZOLE DERIVATIVES DDT, NAT1, CYP2E1 CYP2C9 35/4885TSHR 162/4885MAPT 4378/4885

“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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