SCHEMBL4870104

SCHEMBL4870104

C=CCn1cnc2c[n+]([O-])c3ccccc3c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.36
HPGD P15428 5/20 0.33
ALDH1A1 P00352 3/20 0.33
PDE4B Q07343 2/20 0.33
PDE4D Q08499 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
PDE4A P27815 1/20 0.33
ADORA2A P29274 1/20 0.33
PDE4C Q08493 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL9602275 0.82 DPP4 (0.41) ADORA2BALDH1A1TDP1MEN1KMT2A
SCHEMBL10727327 0.82 TLR7 (0.36) ALDH1A1PDE4BPDE4DTDP1PDE4A
SCHEMBL9602609 0.80 HTT (0.51) ALDH1A1ADORA2AHTTKMT2A
SCHEMBL10588936 0.80 ALDH1A1 (0.41) HPGDALDH1A1PDE4BPDE4DTDP1
SCHEMBL3192664 0.79 TLR7 (0.47) HPGDALDH1A1PDE4BPDE4DTDP1
SCHEMBL30601125 0.79 TLR7 (0.47) HPGDALDH1A1PDE4BPDE4DTDP1
SCHEMBL1335102 0.79 CSNK2A2 (0.37) HTTKMT2AKDM4ENPSR1CYP1A2
Hydrochloric Acid SCHEMBL3198630 0.78 TLR7 (0.46) HPGDALDH1A1PDE4BPDE4DTDP1
SCHEMBL10587329 0.78 NR1I2 (0.41) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL9601900 0.78 NR1I2 (0.41) HPGDALDH1A1MEN1KMT2AKDM4E

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
EP-1966205-A2 PREPARATION OF 1H-IMIDAZO[4,5-C]QUINOLIN-4-AMINES VIA 1H-IMIDAZO[4,5-C]QUINOLIN-4-PHTHALIMIDE INTERMEDIATES Teva Gyógyszergyár Zártköruen Muködo Részvénytársaság (HU) 2008-09-10 EP disclosed
US-20080103310-A1 Preparation of 1H-imidazo[4,5-c]quinolin-4-amines via 1H-imidazo[4, 5-c]quinolin-4-phtalimide intermediates TEVA GYOGYSZERGYAR ZARTKORUEN MUKODO RESZVENYTARSASAG (HU) 2008-05-01 US disclosed
WO-2008048683-A2 PREPARATION OF 1H-IMIDAZO[4,5-C]QUINOLIN-4-AMINES VIA 1H-IMIDAZO[4,5-C]QUINOLIN-4-PHTHALIMIDE INTERMEDIATES TEVA GYOGYSZERGYAR ZARTKORUEN MUKODO RESZVENYTARSASAG (HU) 2008-04-24 WO 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-20080103310-A1 Preparation of 1H-imidazo[4,5-c]quinolin-4-amines via 1H-imidazo[4, 5-c]quinolin-4-phtalimide intermediates AAAS, AZI2, PNMT ADORA2B 572/4885HPGD 2110/4885ALDH1A1 1790/4885

“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.