SCHEMBL2534877

SCHEMBL2534877

COc1cc2c(C)cc(Cl)nc2cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
PDPK1 O15530 1/20 0.43
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
ACHE P22303 1/20 0.36
DHFR P00374 1/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
S1PR1 P21453 1/20 0.35
ILK Q13418 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
EGFR P00533 1/20 0.35
MEN1 O00255 1/20 0.34
RAD52 P43351 1/20 0.34
UBE2N P61088 1/20 0.34
KMT2A Q03164 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
SCHEMBL5470172 0.83 KDM4E (0.46) KDM4ECYP3A4CYP2C19HIF1APDPK1
SCHEMBL2535158 0.81 KDM4E (0.50) KDM4ECYP3A4CYP2C19HIF1APDE3B
SCHEMBL2531322 0.80 PDE10A (0.40) KDM4EPDPK1PDE3BPDE3AALDH1A1
SCHEMBL15647874 0.79 EGFR (0.38) KDM4EPDE3BPDE3AALDH1A1POLB
SCHEMBL23520712 0.77 PDE4A (0.42) PDPK1PDE3BPDE3AALDH1A1ILK
SCHEMBL19610604 0.77 MAPT (0.50) PDPK1PDE3BPDE3AALDH1A1POLB
SCHEMBL29091604 0.75 SMN1; SMN2 (0.44) KDM4EPDPK1ALDH1A1SMN1; SMN2EGFR
SCHEMBL20588239 0.73 NQO2 (0.39) KDM4ECYP3A4CYP2C19HIF1APDPK1
SCHEMBL3974454 0.73 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL17122641 0.73 POLB (0.47) KDM4EPDPK1ALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
EP-2003131-A1 AMINOPYRROLIDINE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2008-12-17 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-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R KDM4E 728/4885CYP3A4 1329/4885CYP2C19 1644/4885

“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.