SCHEMBL17857880

SCHEMBL17857880

N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2cc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.43
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CASP1 P29466 1/20 0.40
SQOR Q9Y6N5 1/20 0.40
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
LCK P06239 1/20 0.39
CDK1 P06493 1/20 0.39
CSF1R P07333 1/20 0.39
LYN P07948 1/20 0.39
RET P07949 1/20 0.39
KIT P10721 1/20 0.39
FGFR1 P11362 1/20 0.39

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
SCHEMBL17857881 0.90 CYP11B2 (0.49) ABCG2USP2CYP1A2CYP3A4CYP2C9
SCHEMBL8571895 0.90 ABCG2 (0.44) ABCG2HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL18684000 0.89 ABCG2 (0.43) ABCG2HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL18683921 0.89 ABCG2 (0.43) ABCG2HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL18683992 0.89 ABCG2 (0.43) ABCG2HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL18683927 0.89 ABCG2 (0.43) ABCG2HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL18683977 0.89 ABCG2 (0.43) ABCG2HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL18684083 0.89 ABCG2 (0.43) ABCG2HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL18679615 0.89 ABCG2 (0.43) ABCG2HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL18684085 0.89 ABCG2 (0.43) ABCG2HPGDCYP1A2CYP3A4CYP2C9

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-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 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-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, PIEZO1, SLC39A11 ABCG2 4206/4885HPGD 4093/4885USP2 4097/4885

“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.