Sugi Predict

Sugi Predict / Compounds / SCHEMBL3077545

SCHEMBL3077545

SCHEMBL3077545

Cc1nn(Cc2ccccn2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.46
▸ CYP11B2 P19099 3/20 0.42
▸ PGR P06401 2/20 0.41
▸ P2RX7 Q99572 2/20 0.41
▸ NSD2 O96028 1/20 0.40
▸ NR3C2 P08235 1/20 0.40
▸ ADORA2B P29275 2/20 0.39
▸ CYP11B1 P15538 1/20 0.38
▸ MARS1 P56192 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SLC16A3 O15427 1/20 0.37
▸ EGLN2 Q96KS0 1/20 0.37
▸ BRD4 O60885 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
SCHEMBL3074122 0.87 AR (0.46) ARCYP11B2NSD2CYP11B1KDM4E
SCHEMBL3081229 0.85 AR (0.50) ARNSD2KDM4EALDH1A1
SCHEMBL3086674 0.85 AR (0.46) ARCYP11B2NSD2ADORA2BEGLN2
SCHEMBL3083850 0.85 AR (0.46) ARCYP11B2P2RX7NSD2CYP11B1
SCHEMBL3082085 0.84 AR (0.48) ARCYP11B2PGRNSD2MAPK1
SCHEMBL3063842 0.84 AR (0.48) ARNSD2KDM4ENPSR1
SCHEMBL3076000 0.83 KDM4E (0.48) ARP2RX7KDM4EALDH1A1MAPT
SCHEMBL3089383 0.83 AR (0.44) ARCYP11B2NSD2CYP11B1KDM4E
SCHEMBL3074142 0.83 AR (0.47) ARCYP11B2NSD2KDM4EALDH1A1
SCHEMBL3070146 0.83 AR (0.41) ARCYP11B2PGRNSD2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101842357-A Substituted pyrazole derivatives TAKEDA PHARMACEUTICAL 2010-09-22 — — CN disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 — — US disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 — — US disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 — — US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 — — EP disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 — — EP disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 — — US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 — — US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 — — US 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-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AR, NR5A1, NR3C2 AR 1/4885CYP11B2 13/4885PGR 17/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885CYP11B2 13/4885PGR 16/4885

“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.