SCHEMBL19213877

SCHEMBL19213877

c1ccc2cc(-n3c4ccc(-c5ccc6[nH]c7ccccc7c6c5)cc4c4ccc5ccccc5c43)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.38
HTR2B P41595 1/20 0.37
HTR5A P47898 1/20 0.37
PDE9A O76083 1/20 0.36
AHR P35869 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
CDK4 P11802 3/20 0.35
CCND1 P24385 3/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34

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
SCHEMBL24766053 0.91 CDK4 (0.43) KIF11HTR2BHTR5AAHRALDH1A1
SCHEMBL19203100 0.91 KIF11 (0.39) KIF11HTR2BHTR5AAHRALDH1A1
SCHEMBL19213873 0.89 CDK4 (0.41) KIF11HTR2BHTR5AAHRALDH1A1
SCHEMBL17253670 0.88 HTR2B (0.40) KIF11HTR2BHTR5APDE9AAHR
SCHEMBL29993138 0.88 HTR2B (0.40) KIF11HTR2BHTR5APDE9AAHR
SCHEMBL19213876 0.86 KIF11 (0.39) KIF11HTR2BHTR5AAHRALDH1A1
SCHEMBL20391592 0.85 NR3C1 (0.36) ALDH1A1HPGDPIK3CDPIK3CAMTOR
SCHEMBL21709015 0.85 KDM4E (0.38) ALDH1A1KDM4EHPGDPIK3CDPIK3CA
SCHEMBL263172 0.84 HTR2B (0.46) KIF11HTR2BHTR5APDE9AAHR
SCHEMBL20826228 0.84 NR3C1 (0.37) HPGDCDK4CCND1PIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10170707-B2 Compound, material for organic electroluminescence element, organic electroluminescence element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2019-01-01 US disclosed
US-20180145265-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-05-24 US disclosed
US-20180145265-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-05-24 US disclosed
US-20170229661-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-08-10 US disclosed
US-20170229661-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-08-10 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 (3 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-20170229661-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE RER1, LEF1, L1CAM KIF11 1489/4885HTR2B 2056/4885HTR5A 3031/4885
US-20180145265-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE RER1, LEF1, L1CAM KIF11 1489/4885HTR2B 2056/4885HTR5A 3031/4885
US-10170707-B2 Compound, material for organic electroluminescence element, organic electroluminescence element, and electronic device RER1, LEF1, L1CAM KIF11 1489/4885HTR2B 2056/4885HTR5A 3031/4885

“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.