SCHEMBL2900758

SCHEMBL2900758

[c]1cccc(Cn2ccc(-c3ccccn3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.40
KDM4E B2RXH2 6/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
CCR1 P32246 2/20 0.38
CCR5 P51681 2/20 0.38
CCR8 P51685 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
METAP1 P53582 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
DOHH Q9BU89 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
GRM5 P41594 1/20 0.37

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
SCHEMBL2897632 0.85 LMNA (0.43) LMNAKDM4ENPC1RAB9AALDH1A1
SCHEMBL2894773 0.81 KDM4E (0.38) LMNAKDM4ENPC1RAB9AALDH1A1
SCHEMBL2894011 0.76 LMNA (0.38) LMNAKDM4ENPC1RAB9AALDH1A1
SCHEMBL3920408 0.75 GRM5 (0.60) KDM4EALDH1A1GRM5TGFBR1HTT
SCHEMBL5216458 0.75 KDM4E (0.47) LMNAKDM4ENPC1RAB9AALDH1A1
SCHEMBL173875 0.74 NPC1 (0.41) LMNAKDM4ENPC1RAB9AALDH1A1
SCHEMBL19121442 0.71 KDM4E (0.50) LMNAKDM4ENPC1RAB9AALDH1A1
SCHEMBL2893971 0.71 NPC1 (0.43) LMNAKDM4ENPC1RAB9AALDH1A1
SCHEMBL2903346 0.70 POLB (0.37) LMNAKDM4ENPC1RAB9AALDH1A1
SCHEMBL27979676 0.70 HTT (0.48) LMNANPC1RAB9AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 EP 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 (1 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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR LMNA 2262/4885KDM4E 762/4885NPC1 4631/4885

“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.