SCHEMBL6324414

SCHEMBL6324414

Cc1cc2c(NCc3cc(C(=N)NO)ccc3OCc3ccccc3)ncnc2cc1C(=O)N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.39
HDAC3 O15379 1/20 0.39
ERBB2 P04626 1/20 0.39
KDR P35968 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
HPGD P15428 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.39
LCK P06239 1/20 0.38

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
SCHEMBL6323136 0.92 HPGD (0.38) EGFRKDRHPGDALDH1A1HTT
SCHEMBL6329307 0.92 HPGD (0.40) EGFRHPGDALDH1A1HTTLMNA
Hydrochloric Acid SCHEMBL6322311 0.91 EGFR (0.40) EGFRHPGDALDH1A1HTTLMNA
SCHEMBL6323864 0.88 PDE5A (0.35) EGFRHPGDALDH1A1HTTLMNA
SCHEMBL3000544 0.86 CDK1 (0.40) EGFRHPGDALDH1A1HTTLMNA
SCHEMBL6332087 0.86 CDK1 (0.50) EGFRHPGDALDH1A1HTTLMNA
SCHEMBL6324788 0.84 HPGD (0.41) EGFRERBB2HPGDALDH1A1HTT
SCHEMBL6324410 0.81 HSD17B10 (0.38) HDAC1HDAC8HDAC6HPGDALDH1A1
SCHEMBL6554470 0.80 SMPD1 (0.43) HDAC1HDAC8HDAC6HPGDALDH1A1
SCHEMBL6327115 0.80 CDK1 (0.37) EGFRKDRHPGDALDH1A1HTT

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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-19 US disclosed
WO-2004080970-A1 NOVEL BICYCLIC AROMATIC COMPOUNDS, THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-23 WO 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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions F12, F2, F11 EGFR 2807/4885HDAC3 491/4885ERBB2 3200/4885

“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.