SCHEMBL19741337

SCHEMBL19741337

O=c1nc[nH]c2c3ccccc3c3ccccc3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.48
PDPK1 O15530 1/20 0.48
CA12 O43570 1/20 0.48
ALOX15 P16050 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA9 Q16790 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.40
CHEK1 O14757 1/20 0.40
CDK4 P11802 1/20 0.40
SRC P12931 1/20 0.40
CCND1 P24385 1/20 0.40
ABL1 P00519 2/20 0.40
DYRK1A Q13627 2/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 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
SCHEMBL19741339 0.73 PARP1 (0.53) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL4022352 0.71 SMN1; SMN2 (0.48) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL29678942 0.71 SMN1; SMN2 (0.48) PARP1PDPK1CA12ALOX15SMN1; SMN2
Quinazolinone SCHEMBL10418 0.69 PARP1 (0.48) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL15367210 0.69 DYRK1A (0.41) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL12042120 0.69 DYRK1A (0.44) PARP1PDPK1CA12ALOX15SMN1; SMN2
Quinazolinone SCHEMBL8201415 0.68 PARP1 (0.47) PARP1PDPK1CA12ALOX15SMN1; SMN2
Quinazolinone SCHEMBL7746268 0.68 PARP1 (0.47) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL4255630 0.68 KDM4E (0.58) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL6537628 0.68 PARP1 (0.54) PARP1PDPK1CA12ALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170373257-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-12-28 US 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-20170373257-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device B4GALT1, CCNT1, CYP1A1 PARP1 2718/4885PDPK1 3256/4885CA12 3792/4885

“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.