SCHEMBL17620593

SCHEMBL17620593

COc1cccc(-c2nc3ccccc3c3cc4c(C)cccn4c23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.50
▸ CYP1A2 P05177 7/20 0.46
▸ CYP3A4 P08684 7/20 0.46
▸ CYP2C9 P11712 4/20 0.46
▸ CYP2B6 P20813 2/20 0.46
▸ AHR P35869 2/20 0.46
▸ NR1I3 Q14994 2/20 0.46
▸ VDR P11473 1/20 0.46
▸ CYP2D6 P10635 6/20 0.43
▸ USP2 O75604 4/20 0.43
▸ MAPK1 P28482 4/20 0.43
▸ CLK4 Q9HAZ1 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ F2 P00734 1/20 0.43
▸ TNK2 Q07912 1/20 0.43

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
SCHEMBL17620537 0.91 LMNA (0.42) ADORA2ACYP1A2CYP3A4CYP2C9CYP2B6
SCHEMBL17634373 0.88 LMNA (0.38) ADORA2ACYP1A2CYP3A4CYP2C9CYP2B6
SCHEMBL17620539 0.85 L3MBTL1 (0.52) MAPK1ALDH1A1KMT2AHSD17B10HPGD
SCHEMBL17634375 0.85 L3MBTL1 (0.43) ALDH1A1HPGDALOX15TNK2MAPT
SCHEMBL17620584 0.84 ADORA2A (0.46) ADORA2AMAPK1ALDH1A1KMT2AHSD17B10
SCHEMBL17620575 0.83 ADORA2A (0.53) ADORA2ACYP1A2CYP3A4CYP2C9CYP2B6
SCHEMBL17620550 0.82 TDP1 (0.47) ADORA2ACYP2C9ALDH1A1CYP2C19HSD17B10
SCHEMBL17634370 0.80 MAPT (0.43) CYP1A2CYP2C9CYP2D6ALDH1A1CYP2C19
SCHEMBL18396423 0.78 ACHE (0.38) ADORA2ACYP1A2CYP3A4CYP2D6USP2
SCHEMBL17620555 0.76 SMN1; SMN2 (0.46) ADORA2AALDH1A1KMT2AHSD17B10HPGD

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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