SCHEMBL17620592

SCHEMBL17620592

c1ccc2c(-c3nc4ccccc4c4cc5ccc(-c6ccoc6)cn5c34)cccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.39
▸ CYP1A2 P05177 12/20 0.37
▸ CYP3A4 P08684 12/20 0.37
▸ ALDH1A1 P00352 9/20 0.37
▸ CYP2D6 P10635 8/20 0.37
▸ HSD17B10 Q99714 8/20 0.37
▸ USP2 O75604 7/20 0.37
▸ CLK4 Q9HAZ1 7/20 0.37
▸ MEN1 O00255 7/20 0.37
▸ KMT2A Q03164 7/20 0.37
▸ CYP2C19 P33261 7/20 0.37
▸ MAPT P10636 6/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ LMNA P02545 8/20 0.36
▸ TSHR P16473 5/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPK1 P28482 3/20 0.35
▸ NT5E P21589 1/20 0.35
▸ HIF1A Q16665 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
SCHEMBL17620549 0.80 FLT3 (0.40) ADORA2ACYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL18396431 0.79 FLT3 (0.40) ADORA2AALDH1A1MEN1KMT2AMAPT
SCHEMBL17620594 0.79 CNR1 (0.36) CYP1A2ALDH1A1CYP2D6HSD17B10MEN1
SCHEMBL17620538 0.78 CYP11B2 (0.39) CYP1A2CYP3A4ALDH1A1CYP2D6HSD17B10
SCHEMBL17634378 0.77 FLT3 (0.38) ADORA2ACYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL17620566 0.67 ALDH1A1 (0.48) ADORA2ACYP1A2ALDH1A1CYP2C19MAPT
SCHEMBL14799966 0.66 IMPDH2 (0.51) ADORA2ACYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL14461188 0.66 ENPP1 (0.48) ADORA2ACYP1A2CYP2C19
SCHEMBL17620562 0.66 RAB9A (0.40) ADORA2ACYP1A2ALDH1A1CYP2C19MAPT
SCHEMBL18396423 0.65 ACHE (0.38) ADORA2ACYP1A2CYP3A4ALDH1A1CYP2D6

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-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-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
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 ADORA2A 562/4885CYP1A2 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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