SCHEMBL29626703

SCHEMBL29626703

Oc1ccc(C2CNCc3ccncc32)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.54
MAPK1 P28482 2/20 0.54
NFKB1 P19838 2/20 0.54
THPO P40225 2/20 0.54
HSD17B10 Q99714 2/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
PARP1 P09874 1/20 0.54
KDM4E B2RXH2 4/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 3/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
PMP22 Q01453 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
DRD1 P21728 6/20 0.43
DRD2 P14416 4/20 0.43
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL22953425 1.00 CYP3A4 (0.54) CYP3A4MAPK1NFKB1THPOHSD17B10
SCHEMBL22953713 0.89 CYP3A4 (0.54) CYP3A4MAPK1NFKB1THPOHSD17B10
SCHEMBL29869900 0.89 CYP3A4 (0.54) CYP3A4MAPK1NFKB1THPOHSD17B10
SCHEMBL11102977 0.80 PARP1 (0.68) CYP3A4MAPK1NFKB1THPOHSD17B10
SCHEMBL14494799 0.80 PARP1 (0.68) CYP3A4MAPK1NFKB1THPOHSD17B10
SCHEMBL22953455 0.78 PDE4A (0.41) CYP3A4TSHRKDM4EHPGDALDH1A1
SCHEMBL29626856 0.78 PDE4A (0.41) CYP3A4TSHRKDM4EHPGDALDH1A1
Bromide SCHEMBL8905972 0.78 KDM4E (0.59) CYP3A4MAPK1NFKB1THPOHSD17B10
SCHEMBL22953723 0.76 MAPK1 (0.52) CYP3A4MAPK1NFKB1THPOHSD17B10
Bromide SCHEMBL8904455 0.76 KDM4E (0.56) CYP3A4MAPK1NFKB1THPOHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220267277-A1 DOPAMINE RECEPTOR D1 AGONISTS AND METHODS OF USE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2022-08-25 US disclosed
EP-4003339-A2 DOPAMINE RECEPTOR D1 AGONISTS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute (US) 2022-06-01 EP 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-20220267277-A1 DOPAMINE RECEPTOR D1 AGONISTS AND METHODS OF USE PRLHR, YAP1, MST1R CYP3A4 4707/4885MAPK1 1277/4885NFKB1 4284/4885

“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.