SCHEMBL19986173

SCHEMBL19986173

Cc1cc(-c2ccccc2)c2ccncc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 4/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
DHODH Q02127 3/20 0.47
KDM4C Q9H3R0 1/20 0.47
TNF P01375 1/20 0.46
ATM Q13315 1/20 0.45
HPGD P15428 3/20 0.43
CYP1A2 P05177 2/20 0.43
USP2 O75604 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.42
HASPIN Q8TF76 1/20 0.42
RAB9A P51151 1/20 0.42
CYP17A1 P05093 1/20 0.42

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
SCHEMBL19986171 0.97 DHODH (0.51) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL19986172 0.91 DHODH (0.46) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL1104820 0.83 CYP1A2 (0.62) ALDH1A1MAPTKDM4ENPSR1HPGD
Iodide SCHEMBL30847747 0.81 CYP1A2 (0.60) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL28389108 0.81 MAPK1 (0.49) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL18731749 0.80 CYP1A2 (0.58) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL28046901 0.77 PSMB5 (0.51) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL18266942 0.75 CYP1A2 (0.57) KDM4EKDM4CCYP1A2TDP1POLB
SCHEMBL17691562 0.75 KDM4E (0.50) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL17932284 0.75 CYP1A2 (0.53) ALDH1A1MAPTKDM4EMEN1LMNA

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-10032999-B2 Compound for organic optoelectric device, composition for organic optoelectric device and organic optoelectric device and display device SAMSUNG SDI CO., LTD. (KR) 2018-07-24 US disclosed
US-20180090690-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-29 US disclosed
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 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 (2 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-10032999-B2 Compound for organic optoelectric device, composition for organic optoelectric device and organic optoelectric device and display device OXER1, OCIAD1, OR10J3 ALDH1A1 57/4885MAPT 2219/4885KDM4E 3867/4885
US-20180090690-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE OXER1, OCIAD1, OR10J3 ALDH1A1 57/4885MAPT 2219/4885KDM4E 3867/4885

“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.