SCHEMBL4919741

SCHEMBL4919741

CCc1[nH]c(C)cc1-c1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
CYP11B2 P19099 3/20 0.44
CYP2A6 P11509 2/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
PGR P06401 2/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM1A O60341 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KIF11 P52732 1/20 0.36
GCGR P47871 1/20 0.35
MAPK14 Q16539 1/20 0.35
MMP3 P08254 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3A P49840 1/20 0.35

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
SCHEMBL4936406 0.81 CYP11B2 (0.44) CYP11B2CYP2A6ALDH1A1HPGDTSHR
SCHEMBL4921058 0.80 ALDH1A1 (0.45) PDE3BPDE3ACYP11B2CYP2A6ALDH1A1
SCHEMBL14154904 0.78 CYP2A6 (0.42) PDE3BPDE3ACYP2A6ALDH1A1HPGD
SCHEMBL4910712 0.77 ALDH1A1 (0.43) CYP11B2CYP2A6ALDH1A1HPGDKDM1A
SCHEMBL4919967 0.74 CYP2A6 (0.47) PDE3BPDE3ACYP11B2CYP2A6ALDH1A1
SCHEMBL4923428 0.73 KIF11 (0.46) CYP11B2CYP2A6ALDH1A1HPGDKDM1A
SCHEMBL4918366 0.73 ALDH1A1 (0.40) CYP11B2CYP2A6ALDH1A1HPGDPGR
SCHEMBL4910488 0.70 AR (0.43) CYP11B2CYP2A6ALDH1A1HPGDPGR
SCHEMBL4922378 0.70 AR (0.43) CYP11B2CYP2A6ALDH1A1HPGDPGR
SCHEMBL6466743 0.69 CYP2A6 (0.44) CYP11B2CYP2A6ALDH1A1HPGDPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed
EP-1824841-A1 SUBSTITUTED PYRROLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-08-29 EP disclosed
WO-2006064944-A1 SUBSTITUTED PYRROLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 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-20080176906-A1 Substituted Pyrrole Derivative AR, NR5A1, MC2R PDE3B 1568/4885PDE3A 1591/4885CYP11B2 81/4885

“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.