SCHEMBL17620549

SCHEMBL17620549

COc1cc(OC)cc(-c2ccc3cc4c5ccccc5nc(-c5cccc6ccccc56)c4n3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 2/20 0.40
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2B6 P20813 2/20 0.38
▸ VDR P11473 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ NR1I3 Q14994 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ ADORA2A P29274 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ACACA Q13085 1/20 0.37
▸ LMNA P02545 4/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36

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
SCHEMBL17634378 0.94 FLT3 (0.38) FLT3CYP1A2CYP3A4CYP2C9CYP2B6
SCHEMBL17620566 0.87 ALDH1A1 (0.48) CYP1A2CYP2C9KDM4EALDH1A1ADORA2A
SCHEMBL17634383 0.82 ALDH1A1 (0.39) CYP1A2CYP3A4CYP2C9CYP2B6VDR
SCHEMBL17620592 0.80 ADORA2A (0.39) CYP1A2CYP3A4KDM4EALDH1A1ADORA2A
SCHEMBL18396431 0.80 FLT3 (0.40) FLT3KDM4EALDH1A1ADORA2AHPGD
SCHEMBL17620594 0.78 CNR1 (0.36) CYP1A2CYP2C9ALDH1A1HPGDLMNA
SCHEMBL17620564 0.76 KDM4E (0.46) CYP1A2CYP3A4CYP2C9CYP2B6VDR
SCHEMBL17620538 0.75 CYP11B2 (0.39) CYP1A2CYP3A4CYP2C9KDM4EALDH1A1
SCHEMBL17620580 0.74 LMNA (0.48) CYP1A2CYP2C9KDM4EALDH1A1ADORA2A
SCHEMBL17620568 0.73 MAPT (0.49) CYP3A4CYP2C9KDM4EALDH1A1ADORA2A

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-20160108042-A1 INDOLIZINO[3,2-c]QUINOLINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CYSTIC FIBROSIS CONTAINING THE SAME AS ACTIVE INGREDIENT INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-04-21 — — US disclosed
US-20160108042-A1 INDOLIZINO[3,2-c]QUINOLINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CYSTIC FIBROSIS CONTAINING THE SAME AS ACTIVE INGREDIENT INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-04-21 — — US disclosed
US-9296751-B1 Indolizino[3,2-c]quinoline derivatives, pharmaceutically acceptable salt thereof, preparation method thereof and pharmaceutical composition for treatment of cystic fibrosis containing the same as active ingredient INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-03-29 — — US disclosed
US-9296751-B1 Indolizino[3,2-c]quinoline derivatives, pharmaceutically acceptable salt thereof, preparation method thereof and pharmaceutical composition for treatment of cystic fibrosis containing the same as active ingredient INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-03-29 — — 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 (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-20160108042-A1 INDOLIZINO[3,2-c]QUINOLINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CYSTIC FIBROSIS CONTAINING THE SAME AS ACTIVE INGREDIENT CFTR, AQP3, AQP1 FLT3 1518/4885CYP1A2 1889/4885CYP3A4 2508/4885

“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.

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