SCHEMBL16963468

SCHEMBL16963468

O=Cc1ccc2ncc(I)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 5/20 0.37
▸ PDGFRB P09619 2/20 0.35
▸ PDGFRA P16234 2/20 0.35
▸ KDM4E B2RXH2 5/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ POLB P06746 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ IP6K1 Q92551 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ PTK2B Q14289 1/20 0.32
▸ EGFR P00533 1/20 0.32

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
SCHEMBL29956821 0.79 MAP4K4 (0.50) CYP2A6PDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL669043 0.79 CYP1A2 (0.52) CYP2A6KDM4EALDH1A1RAB9AMEN1
SCHEMBL16963371 0.79 ALDH1A1 (0.41) CYP2A6PDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL13724449 0.79 RAB9A (0.41) CYP2A6PDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL16963494 0.79 ALDH1A1 (0.42) CYP2A6PDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL18848508 0.78 NOS1 (0.42) PDGFRBPDGFRAALDH1A1RAB9APOLB
SCHEMBL16962741 0.78 ALDH1A1 (0.46) PDGFRBPDGFRAKDM4EALDH1A1RAB9A
SCHEMBL16962743 0.78 ALDH1A1 (0.46) PDGFRBPDGFRAKDM4EALDH1A1RAB9A
SCHEMBL4586466 0.75 TYR (0.47) CYP2A6PDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL29935742 0.75 POLB (0.42) CYP2A6ALDH1A1RAB9AMEN1POLB

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776993-B2 Nitrogen-containing heterocyclic compounds for plant disease control BAYER CROPSCIENCE AG (DE) 2017-10-03 — — US disclosed
US-9776993-B2 Nitrogen-containing heterocyclic compounds for plant disease control BAYER CROPSCIENCE AG (DE) 2017-10-03 — — US disclosed
US-9776993-B2 Nitrogen-containing heterocyclic compounds for plant disease control BAYER CROPSCIENCE AG (DE) 2017-10-03 — — US disclosed
US-20170057951-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL BAYER CROPSCIENCE AG 2017-03-02 — — US disclosed
US-20170057951-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL BAYER CROPSCIENCE AG 2017-03-02 — — US disclosed
US-20170057951-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL BAYER CROPSCIENCE AG 2017-03-02 — — US disclosed
US-9510598-B2 Nitrogen-containing heterocyclic compounds for plant disease control BAYER CROPSCIENCE AG (DE) 2016-12-06 — — US disclosed
US-9510598-B2 Nitrogen-containing heterocyclic compounds for plant disease control BAYER CROPSCIENCE AG (DE) 2016-12-06 — — US disclosed
US-9510598-B2 Nitrogen-containing heterocyclic compounds for plant disease control BAYER CROPSCIENCE AG (DE) 2016-12-06 — — US disclosed
EP-2900661-B1 QUINOLINE ISOXAZOLIN DERIVATIVES FOR PLANT DISEASE CONTROL BAYER CROPSCIENCE AG (DE) 2016-10-26 — — EP disclosed
EP-2900661-B1 QUINOLINE ISOXAZOLIN DERIVATIVES FOR PLANT DISEASE CONTROL BAYER CROPSCIENCE AG (DE) 2016-10-26 — — EP disclosed
US-20150216172-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL BAYER CROPSCIENCE AG (DE) 2015-08-06 — — US disclosed
US-20150216172-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL BAYER CROPSCIENCE AG (DE) 2015-08-06 — — US disclosed
US-20150216172-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL BAYER CROPSCIENCE AG (DE) 2015-08-06 — — US disclosed
EP-2900661-A2 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
CN-104812751-A Nitrogen-containing heterocyclic compounds for the control of plant diseases BAYER CROPSCIENCE AG 2015-07-29 — — CN 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-20150216172-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL NOD1, BROX, CBR3 CYP2A6 3147/4885PDGFRB 3834/4885PDGFRA 3891/4885
US-20170057951-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL NOD1, BROX, CBR3 CYP2A6 3147/4885PDGFRB 3834/4885PDGFRA 3891/4885

“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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