SCHEMBL2593988

SCHEMBL2593988

O=c1cc2[nH]cncc-2cc1O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 0.42
CYP3A4 P08684 2/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.38
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ASIC3 Q9UHC3 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL725527 0.69 CYP3A4 (0.48) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL1771094 0.65
SCHEMBL31444208 0.64 IDO1 (0.58) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL2564383 0.64 IDO1 (0.47) IDO1CYP3A4POLBSMN1; SMN2ASIC3
Hydrochloric Acid SCHEMBL27258266 0.62 IDO1 (0.60) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL7194641 0.62 IDO1 (0.59) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL509585 0.62 HPGDS (0.44) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL28243318 0.61 IDO1 (0.50) IDO1POLBSMN1; SMN2ASIC3CYP11B1
SCHEMBL12543941 0.60 IDO1 (0.74) IDO1CYP3A4MAPTPOLBSMN1; SMN2
SCHEMBL496675 0.60 IDO1 (0.64) IDO1CYP3A4CYP2E1CYP2D6CYP2A6

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
US-9212143-B2 Small molecule inhibitors of protein kinases LEVOLTA PHARMACEUTICALS, INC. (US) 2015-12-15 US disclosed
US-20130058980-A1 SMALL MOLECULE INHIBITORS OF PROTEIN KINASES LEVOLTA PHARMACEUTICALS, INC. 2013-03-07 US disclosed
WO-2011139295-A1 SMALL MOLECULE INHIBITORS OF PROTEIN KINASES IMC BIOTECHNOLOGY, INC. (US) 2011-11-10 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-20130058980-A1 SMALL MOLECULE INHIBITORS OF PROTEIN KINASES SYK, BTK, LCK IDO1 1598/4885CYP3A4 4595/4885CYP2E1 4378/4885

“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.