SCHEMBL7830700

SCHEMBL7830700

c1ccc2c(c1)CCCC2Nc1ncnc2ncccc12

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.59
RPS6KB1 P23443 3/20 0.59
AURKB Q96GD4 1/20 0.59
LMNA P02545 2/20 0.51
GBA1 P04062 2/20 0.51
EGFR P00533 1/20 0.49
ADRA2A P08913 2/20 0.45
ADRA2B P18089 2/20 0.45
ADRA2C P18825 2/20 0.45
ADRA1A P35348 2/20 0.45
HDAC6 Q9UBN7 1/20 0.44
KCNN3 Q9UGI6 1/20 0.44
P2RX7 Q99572 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL7837066 0.99 AURKA (0.58) AURKARPS6KB1AURKBLMNAGBA1
SCHEMBL20569405 0.82 GBA1 (0.53) AURKARPS6KB1AURKBLMNAGBA1
SCHEMBL22872944 0.81 AURKA (0.53) AURKARPS6KB1AURKBLMNAGBA1
SCHEMBL22872950 0.81 AURKA (0.53) AURKARPS6KB1AURKBLMNAGBA1
SCHEMBL22872897 0.81 AURKA (0.53) AURKARPS6KB1AURKBLMNAGBA1
SCHEMBL7822376 0.80 KDM4C (0.46) AURKARPS6KB1AURKBLMNAEGFR
SCHEMBL7832386 0.80 EGFR (0.54) AURKARPS6KB1AURKBLMNAGBA1
Hydrochloric Acid SCHEMBL7821610 0.79 KDM4C (0.45) AURKARPS6KB1AURKBLMNAEGFR
Hydrochloric Acid SCHEMBL7834199 0.79 EGFR (0.53) AURKARPS6KB1AURKBLMNAGBA1
SCHEMBL8930214 0.78 AURKA (0.59) AURKARPS6KB1AURKBLMNAEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0802914-B1 ARYL- AND HETEROARYL- PURINE AND PYRIDOPYRIMIDINE DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 2001-06-06 EP claimed
EP-3630759-B1 COMPOUNDS USEFUL AS ION CHANNEL INHIBITORS FOR THE TREATMENT OF CANCER CENTRE NAT RECH SCIENT (FR) 2024-05-01 EP disclosed
US-20210009581-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CHU NANTES (FR) 2021-01-14 US disclosed
EP-0802914-B1 ARYL- AND HETEROARYL- PURINE AND PYRIDOPYRIMIDINE DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 2001-06-06 EP disclosed
US-5965563-A NOVEL PURINE DERIVATIVES SUCH AS N6-(2-OXINDOL-5-YL) ADENINE, METHODS OF SYNTHESIZING THEM; USE AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1999-10-12 US disclosed
EP-0802914-A1 ARYL AND HETEROARYL PURINE COMPOUNDS PHARMACIA & UPJOHN S.p.A. (IT) 1997-10-29 EP disclosed
WO-1997018212-A1 ARYL AND HETEROARYL PURINE COMPOUNDS PHARMACIA & UPJOHN S.P.A. (IT) 1997-05-22 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-20210009581-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CACNA1E, KCNA1, KCNT1 AURKA 362/4885RPS6KB1 284/4885AURKB 530/4885

“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.