SCHEMBL2021082

SCHEMBL2021082

Brc1ccc(C2CCC(NC(Cc3ccccc3)c3ccccc3)=N2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.39
RORC P51449 2/20 0.37
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL11172274 0.78 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL28896351 0.72 SLC18A3 (0.40) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL18952114 0.72 MMP2 (0.40) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1550476 0.68 POLB (0.57) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11171507 0.66 CYP2D6 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL11166973 0.65 CYP2D6 (0.58) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6728371 0.64 POLB (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3204506 0.64 CYP1A2 (0.72) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20385349 0.63 HTT (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL28428823 0.63 SIGMAR1 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8221775-B2 Pyrrolin-2-ylamino compounds for combating animal pests BASF SE (DE) 2012-07-17 US disclosed
EP-2346822-A1 PYRROLIN-2-YLAMINO COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2011-07-27 EP disclosed
US-20110160269-A1 Pyrrolin-2-ylamino Compounds For Combating Animal Pests BASF SE 2011-06-30 US disclosed
WO-2010029069-A1 PYRROLIN-2-YLAMINO COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2010-03-18 WO 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-20110160269-A1 Pyrrolin-2-ylamino Compounds For Combating Animal Pests RXFP3, CBR3, ATL3 CYP1A2 763/4885CYP3A4 2747/4885CYP2D6 1993/4885

“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.