SCHEMBL83557

SCHEMBL83557

CC#CCOc1ncnc(N2CC(C)CC(C)C2)c1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 1/20 0.41
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
ACACB O00763 13/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAP2K7 O14733 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LRRK2 Q5S007 2/20 0.33

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
SCHEMBL394833 1.00 PDE1B (0.41) PDE1BKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL83556 1.00 PDE1B (0.41) PDE1BKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL29368774 1.00 PDE1B (0.41) PDE1BKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL394832 1.00 PDE1B (0.41) PDE1BKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL83603 0.90 ACACB (0.37) ACACB
SCHEMBL83968 0.89 PDE1B (0.38) PDE1BKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL83709 0.86 PDE1B (0.42) PDE1BKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL83129 0.86 JAK3 (0.44) KDM4EACACBLMNAHSD17B10NPC1
SCHEMBL83419 0.85 PDE1B (0.41) PDE1BKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL395869 0.83 HTT (0.37) KDM4EACACBLMNANPSR1NPC1

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 1184 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108658816-B N-aryl amidine substituted trifluoroethyl sulfide derivatives useful as acaricides and insecticides 拜尔农作物科学股份公司 2023-05-02 CN claimed
US-20220408727-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING FATTY ACIDS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 US claimed
WO-2021099271-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING FATTY ACIDS BAYER AKTIENGESELLSCHAFT (DE) 2021-05-27 WO claimed
EP-3701796-A1 ACTIVE COMPOUND COMBINATIONS Bayer AG (DE) 2020-09-02 EP claimed
EP-3697217-A1 ACTIVE COMPOUND COMBINATIONS HAVING INSECTICIDAL/ACARICIDAL PROPERTIES Bayer Aktiengesellschaft (DE) 2020-08-26 EP claimed
US-20200236938-A1 ACTIVE COMPOUND COMBINATIONS HAVING INSECTICIDAL/ACARICIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2020-07-30 US claimed
WO-2020043650-A1 ACTIVE COMPOUND COMBINATIONS HAVING INSECTICIDAL/ACARICIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-05 WO claimed
EP-3010893-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2019-10-02 EP claimed
US-20190159451-A1 ACTIVE COMPOUND COMBINATIONS AND METHODS TO PROTECT THE PROPAGATION MATERIAL OF PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-05-30 US claimed
WO-2019076754-A1 ACTIVE COMPOUND COMBINATIONS HAVING INSECTICIDAL/ACARICIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2019-04-25 WO claimed
US-20140315898-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYL SULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2014-10-23 US claimed
US-20140310835-A1 SOYBEAN EVENT SYHT04R AND COMPOSITIONS AND METHODS FOR DETECTION THEREOF SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US claimed
EP-2699092-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING A (THIO)CARBOXAMIDE DERIVATIVE AND AN INSECTICIDAL OR ACARICIDAL OR NEMATICIDAL ACTIVE COMPOUND Bayer Intellectual Property GmbH (DE) 2014-02-26 EP claimed
US-20140051576-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING A (THIO)CARBOXAMIDE DERIVATIVE AND AN INSECTICIDAL OR ACARICIDAL OR NEMATICIDAL ACTIVE COMPOUND BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-02-20 US claimed
EP-2651209-A2 SOYBEAN EVENT SYHT0H2 AND COMPOSITIONS AND METHODS FOR DETECTION THEREOF Syngenta Participations AG (CH) 2013-10-23 EP claimed
EP-2604118-A1 Active ingredient combinations having insecticidal and acaricidal properties Bayer CropScience AG (DE) 2013-06-19 EP claimed
WO-2012143125-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING A (THIO)CARBOXAMIDE DERIVATIVE AND AN INSECTICIDAL OR ACARICIDAL OR NEMATICIDAL ACTIVE COMPOUND BAYER CROPSCIENCE AG (DE) 2012-10-26 WO claimed
WO-2012082542-A2 SOYBEAN EVENT SYHT04R AND COMPOSITIONS AND METHODS FOR DETECTION THEREOF SYNGENTA PARTICIPATIONS AG (CH) 2012-06-21 WO claimed
WO-2012082548-A2 SOYBEAN EVENT SYHT0H2 AND COMPOSITIONS AND METHODS FOR DETECTION THEREOF SYNGENTA PARTICIPATIONS AG (CH) 2012-06-21 WO claimed
US-20110311503-A1 Active ingredient combinations having insecticidal and acaricidal properties BAYER CROPSCIENCE AG (DE) 2011-12-22 US 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 (5 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-20140315898-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYL SULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES AFF4, ARSA, AFF1 PDE1B 3744/4885KDM4E 1809/4885CYP1A2 205/4885
US-20190159451-A1 ACTIVE COMPOUND COMBINATIONS AND METHODS TO PROTECT THE PROPAGATION MATERIAL OF PLANTS BROX, CAT, MPG PDE1B 4286/4885KDM4E 3723/4885CYP1A2 2188/4885
US-20200236938-A1 ACTIVE COMPOUND COMBINATIONS HAVING INSECTICIDAL/ACARICIDAL PROPERTIES ACHE, CYP51A1, ACAT1 PDE1B 286/4885KDM4E 2835/4885CYP1A2 396/4885
US-20140051576-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING A (THIO)CARBOXAMIDE DERIVATIVE AND AN INSECTICIDAL OR ACARICIDAL OR NEMATICIDAL ACTIVE COMPOUND AADAC, TUBA3C, ACACA PDE1B 1711/4885KDM4E 1205/4885CYP1A2 781/4885
US-20110311503-A1 Active ingredient combinations having insecticidal and acaricidal properties ACHE, ACAT1, ACAT2 PDE1B 467/4885KDM4E 3132/4885CYP1A2 654/4885

“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.