SCHEMBL5576841

SCHEMBL5576841

c1ccc2c3cncc-3[nH]cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.43
IDO1 P14902 3/20 0.39
CYP11B2 P19099 10/20 0.39
CYP11B1 P15538 10/20 0.39
CYP3A4 P08684 2/20 0.39
CYP17A1 P05093 1/20 0.39
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2B6 P20813 2/20 0.38
CYP2C19 P33261 2/20 0.38
LRRK2 Q5S007 1/20 0.36
CYP1A2 P05177 1/20 0.36
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36

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
SCHEMBL1478085 0.75 PARP1 (0.36) IDO1CYP11B2CYP11B1CYP3A4CYP2D6
SCHEMBL19259529 0.74 KDM4E (0.47) CYP1A2IKBKETBK1
SCHEMBL20873066 0.72 PRKCZ (0.64) PRKCZCYP11B2CYP11B1CYP3A4CYP17A1
SCHEMBL18148991 0.72 CYP11B1 (0.50) IDO1CYP11B2CYP11B1CYP3A4ADRA2A
SCHEMBL1501931 0.72 IDO1 (0.59) IDO1CYP11B2CYP11B1CYP3A4ADRA2A
SCHEMBL1528253 0.69 PRKCZ (0.56) PRKCZCYP11B2CYP11B1CYP3A4CYP17A1
SCHEMBL5571013 0.69 HSD17B10 (0.53) PRKCZCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL26053442 0.68 KDR (0.51) PRKCZIDO1CYP11B2CYP11B1CYP3A4
SCHEMBL450794 0.68 TGFBR1 (0.39) PRKCZCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10806364 0.67 PRKCZ (0.69) PRKCZCYP11B2CYP11B1CYP3A4CYP17A1

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-20220133740-A1 VALPROIC ACID COMPOUNDS AND WNT AGONISTS FOR TREATING EAR DISORDERS Frequency Therapeutics, Inc. (US) 2022-05-05 US disclosed
EP-1778225-A2 PYRROLO(OXO)ISOQUINOLINES AS 5HT LIGANDS Bristol-Myers Squibb Company (US) 2007-05-02 EP disclosed
WO-2006019886-A2 PYRROLO(OXO)ISOQUINOLINES AS 5HT LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 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-20220133740-A1 VALPROIC ACID COMPOUNDS AND WNT AGONISTS FOR TREATING EAR DISORDERS WNT3A, WNT1, WNT3 PRKCZ 910/4885IDO1 2165/4885CYP11B2 1388/4885

“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.