SCHEMBL6794259

SCHEMBL6794259

Nc1nc(-c2cccc(Nc3ncccc3N)c2)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.53
ALDH1A1 P00352 8/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 7/20 0.49
RAB9A P51151 6/20 0.49
KDM4E B2RXH2 3/20 0.49
HK1 P19367 1/20 0.49
HKDC1 Q2TB90 1/20 0.49
PDE10A Q9Y233 1/20 0.45
FBP1 P09467 1/20 0.44
NPC1 O15118 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43

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
SCHEMBL6796930 0.85 CYP19A1 (0.55) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL6796851 0.83 ALOX5 (0.59) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL6798852 0.83 MAPT (0.49) EGFRALDH1A1MEN1KMT2AHPGD
SCHEMBL6797326 0.81 CNR1 (0.46) EGFRHPGDLMNAHTTPDE10A
SCHEMBL6798713 0.80 CA12 (0.47) EGFRALDH1A1HPGDLMNAHTT
SCHEMBL6795594 0.79 CA12 (0.49) EGFRMEN1KMT2ALMNAMAPT
SCHEMBL22822212 0.79 ALDH1A1 (0.65) EGFRALDH1A1MEN1KMT2AHPGD
SCHEMBL30269605 0.79 CA12 (0.49) EGFRMEN1KMT2ALMNAMAPT
SCHEMBL6797836 0.78 CA12 (0.48) EGFRMEN1KMT2ALMNAMAPT
SCHEMBL6798416 0.78 KCNH2 (0.44) ALDH1A1MEN1KMT2AHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
CN-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
CN-1051548-C Heterobicyclic derivatives, pharmaceutical compositions containing them, process for preparing them and their use FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 CN disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 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-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 EGFR 419/4885ALDH1A1 339/4885MEN1 2703/4885

“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.