SCHEMBL6324788

SCHEMBL6324788

N=C(N)c1ccc(OCc2ccccc2)c(CNc2ncnc3cc(C(=O)N4CCCC4)c(Cl)cc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
CDK1 P06493 3/20 0.40
AURKA O14965 3/20 0.39
ERBB2 P04626 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EGFR P00533 6/20 0.38
RPS6KB1 P23443 2/20 0.38
AURKB Q96GD4 2/20 0.38
ADORA3 P0DMS8 1/20 0.37
MGLL Q99685 1/20 0.37
PDE5A O76074 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL6329307 0.92 HPGD (0.40) HPGDCDK1AURKAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6322311 0.91 EGFR (0.40) HPGDCDK1AURKAKDM4EALDH1A1
SCHEMBL6329498 0.89 CDK1 (0.43) HPGDCDK1AURKAERBB2KDM4E
Hydrochloric Acid SCHEMBL6324371 0.88 HPGD (0.44) HPGDCDK1AURKAALDH1A1LMNA
SCHEMBL2995398 0.86 CDK1 (0.42) HPGDCDK1AURKAKDM4EALDH1A1
SCHEMBL6331854 0.84 CNR1 (0.44) HPGDCDK1AURKAERBB2KDM4E
SCHEMBL6324414 0.84 EGFR (0.39) HPGDCDK1ERBB2KDM4EALDH1A1
SCHEMBL6323136 0.82 HPGD (0.38) HPGDCDK1AURKAKDM4EALDH1A1
SCHEMBL6325599 0.81 HPGD (0.42) HPGDAURKAERBB2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6324987 0.81 F10 (0.39) HPGDKDM4EALDH1A1MAPK1LMNA

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
US-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists SMITHKLINE BEECHAM CORPORATION 2005-05-19 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-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists CALCRL, CALCR, CALCB HPGD 548/4885CDK1 626/4885AURKA 3808/4885
US-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions F12, F2, F11 HPGD 1428/4885CDK1 170/4885AURKA 437/4885

“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.