SCHEMBL6796159

SCHEMBL6796159

O=C(Nc1cccc(-c2cccc(-n3c(=O)c(Cc4cccnc4)nc4cccnc43)c2)c1)c1cnc2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
POLB P06746 1/20 0.45
EGFR P00533 1/20 0.42
BTK Q06187 1/20 0.42
ITK Q08881 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HMOX1 P09601 1/20 0.42
HMOX2 P30519 1/20 0.42
MAPT P10636 5/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 3/20 0.41
NPC1 O15118 2/20 0.41
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
ACKR3 P25106 1/20 0.40
KDM4E B2RXH2 1/20 0.40
JAK2 O60674 1/20 0.40
MAPK1 P28482 1/20 0.40

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 SCHEMBL6791483 0.89 AKT1 (0.46) RAB9APOLBEGFRBTKITK
SCHEMBL6798942 0.88 EGFR (0.46) RAB9APOLBEGFRBTKITK
SCHEMBL6796739 0.88 ABL1 (0.47) POLBEGFRBTKITKSMN1; SMN2
SCHEMBL7366456 0.87 IRAK4 (0.53) RAB9ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL6801778 0.87 EGFR (0.45) RAB9AEGFRBTKITKSMN1; SMN2
SCHEMBL6794158 0.87 SIRT2 (0.47) RAB9APOLBEGFRBTKITK
SCHEMBL6797035 0.87 SIRT2 (0.42) POLBEGFRBTKITKSMN1; SMN2
SCHEMBL6801892 0.86 EGFR (0.44) EGFRBTKITKSMN1; SMN2MAPT
SCHEMBL6804831 0.86 NPC1 (0.44) RAB9AEGFRBTKITKSMN1; SMN2
SCHEMBL6795759 0.85 EGFR (0.42) POLBEGFRBTKITKMAPT

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 6 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
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
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 RAB9A 1092/4885POLB 2668/4885EGFR 419/4885

“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.