SCHEMBL3207019

SCHEMBL3207019

O=C(O)c1cc2cc(F)ccc2cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ASPH Q12797 3/20 0.49
KDM8 Q8N371 2/20 0.49
KMO O15229 3/20 0.46
CASP3 P42574 2/20 0.45
SENP8 Q96LD8 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
P4HTM Q9NXG6 4/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TRPM8 Q7Z2W7 2/20 0.42
PDPK1 O15530 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
APEX1 P27695 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
Hydrochloric Acid SCHEMBL3207242 0.98 KDM4E (0.47) KDM4EASPHKDM8KMOCASP3
SCHEMBL12035783 0.93 KDM4E (0.49) KDM4EASPHKDM8KMOP4HTM
Hydrochloric Acid SCHEMBL1503769 0.91 KDM4E (0.47) KDM4EASPHKDM8KMOP4HTM
SCHEMBL209902 0.80 ABL1 (0.44) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL212757 0.80 LCK (0.55) KDM4ECASP3SENP8SENP7SENP6
SCHEMBL30481293 0.79 KDM4E (0.56) KDM4EASPHKDM8P4HTMALDH1A1
SCHEMBL6101082 0.79 KMO (0.46) KDM4EASPHKDM8KMOP4HTM
SCHEMBL14684656 0.79 KDM4E (0.56) KDM4EASPHKDM8P4HTMALDH1A1
SCHEMBL6099196 0.79 CYP2A6 (0.45) KDM4EASPHKDM8KMOP4HTM
SCHEMBL31055620 0.78 KDM4E (0.50) KDM4EASPHKDM8KMOP4HTM

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633752-B1 ISOQUINOLINE-3-CARBOXYLIC ACID AMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2010-10-06 EP claimed
US-20070142428-A1 Isoquinoline-3-carboxylic acid amides and pharmaceutical uses thereof NOVARTIS AG (CH) 2007-06-21 US claimed
EP-1633752-B1 ISOQUINOLINE-3-CARBOXYLIC ACID AMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2010-10-06 EP disclosed
US-7683075-B2 Isoquinoline-3-carboxylic acid amides and pharmaceutical uses thereof NOVARTIS AG (CH) 2010-03-23 US disclosed
CN-100341874-C Isoquinoline-3-carboxylic acid amides and pharmaceutical uses thereof NOVARTIS AG (CH) 2007-10-10 CN disclosed
US-20070142428-A1 Isoquinoline-3-carboxylic acid amides and pharmaceutical uses thereof NOVARTIS AG (CH) 2007-06-21 US disclosed
CN-1784404-A Isoquinoline-3-carboxylic acid amides and pharmaceutical uses thereof NOVARTIS AG (CH) 2006-06-07 CN disclosed
EP-1633752-A1 ISOQUINOLINE-3-CARBOXYLIC ACID AMIDES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2006-03-15 EP disclosed
WO-2004099206-A1 ISOQUINOLINE-3-CARBOXYLIC ACID AMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2004-11-18 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-20070142428-A1 Isoquinoline-3-carboxylic acid amides and pharmaceutical uses thereof CHRNA7, CHRNA3, CHRNA1 KDM4E 2996/4885ASPH 1588/4885KDM8 2011/4885

“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.