Sugi Predict

Sugi Predict / Compounds / SCHEMBL2178497

SCHEMBL2178497

SCHEMBL2178497

CNc1nccc(-c2cc(NC3CCN(c4ncnc5[nH]nc(Br)c45)C3)c3cc(OC)ccc3c2)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.38
▸ CCNC P24863 3/20 0.36
▸ CDK8 P49336 3/20 0.36
▸ PDE3B Q13370 2/20 0.35
▸ PDE3A Q14432 2/20 0.35
▸ PDE10A Q9Y233 2/20 0.35
▸ LRRK2 Q5S007 4/20 0.34
▸ EIF2AK2 P19525 1/20 0.34
▸ KIT P10721 4/20 0.34
▸ PAK1 Q13153 2/20 0.34
▸ CDK1 P06493 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCND3 P30281 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ CDK6 Q00534 1/20 0.33

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
SCHEMBL2180520 0.96 EIF2AK2 (0.37) HRH4CCNCCDK8LRRK2EIF2AK2
SCHEMBL2181166 0.86 PAK1 (0.36) HRH4LRRK2KITPAK1
SCHEMBL2178372 0.85 RPS6KB1 (0.37) HRH4LRRK2KITCCNA2CDK2
SCHEMBL2180148 0.81 EIF2AK2 (0.39) HRH4CCNCCDK8PDE3BPDE3A
SCHEMBL2179534 0.79 ADRB2 (0.43) EIF2AK2KIT
SCHEMBL2181275 0.79 EZH2 (0.40) HRH4CCNCCDK8LRRK2EIF2AK2
SCHEMBL6128585 0.79 MAPT (0.45) HRH4CCNCCDK8EIF2AK2PAK1
SCHEMBL12489868 0.79 EIF2AK2 (0.39) HRH4CCNCCDK8EIF2AK2
SCHEMBL2179297 0.78 EIF2AK2 (0.41) CCNCCDK8EIF2AK2
SCHEMBL6126567 0.78 IKBKB (0.48) EIF2AK2CDK1CDK4CCNB1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173808-B2 Substituted naphthalenyl-pyrimidine compounds ARQULE, INC. (US) 2012-05-08 — — US claimed
US-8173808-B2 Substituted naphthalenyl-pyrimidine compounds ARQULE, INC. (US) 2012-05-08 — — US disclosed
US-8173808-B2 Substituted naphthalenyl-pyrimidine compounds ARQULE, INC. (US) 2012-05-08 — — US disclosed
US-8173808-B2 Substituted naphthalenyl-pyrimidine compounds ARQULE, INC. (US) 2012-05-08 — — US disclosed
US-20110166137-A1 Substituted Naphthalenyl-Pyrimidine Compounds ARQULE, INC. (US) 2011-07-07 — — US disclosed
US-20110166137-A1 Substituted Naphthalenyl-Pyrimidine Compounds ARQULE, INC. (US) 2011-07-07 — — US disclosed
US-20110166137-A1 Substituted Naphthalenyl-Pyrimidine Compounds ARQULE, INC. (US) 2011-07-07 — — US disclosed
WO-2011082268-A2 SUBSTITUTED NAPHTHALENYL-PYRIMIDINE COMPOUNDS ARQULE INC. (US) 2011-07-07 — — 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-20110166137-A1 Substituted Naphthalenyl-Pyrimidine Compounds DPYD, TP53, TYMP HRH4 2409/4885CCNC 27/4885CDK8 48/4885

“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.