SCHEMBL19741339

SCHEMBL19741339

O=c1[nH]cnc2c3ccccc3c3ccccc3c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
PDPK1 O15530 2/20 0.53
CA12 O43570 1/20 0.53
ALOX15 P16050 1/20 0.53
CA9 Q16790 1/20 0.53
TNKS2 Q9H2K2 1/20 0.53
DYRK1A Q13627 2/20 0.51
ACVR1 Q04771 2/20 0.51
AURKA O14965 1/20 0.51
DAPK3 O43293 1/20 0.51
JAK2 O60674 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PAK4 O96013 1/20 0.51
ABL1 P00519 1/20 0.51
CSF1R P07333 1/20 0.51
RET P07949 1/20 0.51
IGF1R P08069 1/20 0.51
MET P08581 1/20 0.51

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
SCHEMBL4102738 0.76 CHEK1 (0.60) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL4022352 0.75 SMN1; SMN2 (0.48) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL29678942 0.75 SMN1; SMN2 (0.48) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL19741337 0.73 PARP1 (0.48) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL2399079 0.72 SMN1; SMN2 (0.63) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL28613124 0.71 MEN1 (0.49) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL3123673 0.70 PARP1 (0.50) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL30588977 0.70 PARP1 (0.50) PARP1SMN1; SMN2PDPK1CA12ALOX15
Samoquasine A SCHEMBL15954512 0.70 PARP1 (0.57) PARP1SMN1; SMN2PDPK1CA12ALOX15
Quinazolinone SCHEMBL88525 0.69 PARP1 (1.00) PARP1SMN1; SMN2PDPK1CA12ALOX15

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-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
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 2718/4885SMN1; SMN2 4104/4885PDPK1 3256/4885

“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.