SCHEMBL1972269

SCHEMBL1972269

CC1(c2ccc(C#N)cc2)CC12C(=O)Nc1ccc(F)cc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.45
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 1/20 0.40
BCHE P06276 3/20 0.39
ACHE P22303 3/20 0.39
NR3C1 P04150 1/20 0.38
NR3C2 P08235 1/20 0.38
AR P10275 1/20 0.38
AKR1B1 P15121 3/20 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
SCHEMBL1972272 1.00 PGR (0.45) PGRCYP1A2MAPTCYP2C19KMT2A
SCHEMBL1975857 1.00 PGR (0.45) PGRCYP1A2MAPTCYP2C19KMT2A
SCHEMBL1975494 0.84 CYP1A2 (0.44) PGRCYP1A2MAPTCYP2C19KMT2A
SCHEMBL1975539 0.83 PDK2 (0.43) PGRMAPTKMT2AKCNH2
SCHEMBL1975538 0.83 PDK2 (0.43) PGRMAPTKMT2AKCNH2
SCHEMBL1977203 0.83 PDK2 (0.43) PGRMAPTKMT2AKCNH2
SCHEMBL1966160 0.76 CYP1A2 (0.54) PGRCYP1A2MAPTCYP2C19KMT2A
SCHEMBL1975293 0.70 CYP1A2 (0.45) PGRCYP1A2MAPTCYP2C19KMT2A
SCHEMBL11032373 0.68 CYP1A2 (0.54) PGRCYP1A2MAPTCYP2C19KMT2A
SCHEMBL1974580 0.67 CYP1A2 (0.41) PGRCYP1A2MAPTCYP2C19KMT2A

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-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-04-25 US disclosed
US-8354443-B2 Cyclopropane indolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
US-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 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-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 PGR 3591/4885CYP1A2 163/4885MAPT 3298/4885
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 PGR 3591/4885CYP1A2 157/4885MAPT 3247/4885

“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.