SCHEMBL6803502

SCHEMBL6803502

CC(=O)Nc1ccc(F)c(Nc2ncccc2N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.50
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
EGFR P00533 1/20 0.42
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIK3CA P42336 2/20 0.40
MTOR P42345 1/20 0.40
GRM4 Q14833 1/20 0.40
MALT1 Q9UDY8 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
SCHEMBL6796833 0.81 MEN1 (0.52) MAPTHTTALDH1A1TDP1RAB9A
SCHEMBL6793593 0.81 ABCG2 (0.57) MAPTHTTCA12CA1CA2
SCHEMBL6800292 0.78 ABCG2 (0.55) MAPTEGFRALDH1A1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL11559806 0.76 GRM4 (0.45) MAPTHTTCA12CA1CA2
SCHEMBL9390990 0.75 KMT2A (0.46) HDAC1MAPTHTTCA12CA1
SCHEMBL6795494 0.75 SYK (0.54) HDAC1MAPTHTTCA12CA1
SCHEMBL13414534 0.73 ALDH1A1 (0.53) HDAC1MAPTHTTCA12CA1
SCHEMBL6796184 0.72 HDAC1 (0.44) HDAC1MAPTHTTCA12CA1
SCHEMBL1240998 0.72 HDAC1 (0.56) HDAC1MAPTHTTCA12CA1
SCHEMBL30739972 0.72 HDAC1 (0.56) HDAC1MAPTHTTCA12CA1

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
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
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 HDAC1 92/4885MAPT 4677/4885HTT 643/4885

“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.