Formic Acid

Formic Acid

SCHEMBL2087409

CN1C2CCC1CC(NC(=O)c1n[nH]c3cc(-c4cn(Cc5ccccc5)nn4)ccc13)C2.O=CO

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 17/20 0.53
STK17A Q9UEE5 8/20 0.52
AURKB Q96GD4 4/20 0.52
DYRK1A Q13627 10/20 0.51
GSK3B P49841 6/20 0.51
HIPK2 Q9H2X6 10/20 0.49
DAPK3 O43293 9/20 0.49
CLK2 P49760 9/20 0.49
CDK5 Q00535 9/20 0.49
PAK4 O96013 8/20 0.49
PRKX P51817 8/20 0.49
MELK Q14680 8/20 0.49
MAP4K5 Q9Y4K4 8/20 0.49
CSNK1A1 P48729 7/20 0.49
FLT3 P36888 7/20 0.49
ROCK2 O75116 6/20 0.49
PRKACA P17612 6/20 0.49
PIM1 P11309 5/20 0.49
MAP4K2 Q12851 5/20 0.49
MAP4K4 O95819 5/20 0.49

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
SCHEMBL2085428 0.97 CDC7 (0.56) CDC7STK17AAURKBDYRK1AGSK3B
SCHEMBL2085431 0.97 CDC7 (0.56) CDC7STK17AAURKBDYRK1AGSK3B
Formic Acid SCHEMBL2086823 0.94 CDC7 (0.62) CDC7STK17AAURKBDYRK1AGSK3B
SCHEMBL3374092 0.91 CDC7 (0.65) CDC7STK17AAURKBDYRK1AGSK3B
SCHEMBL3376687 0.91 CDC7 (0.65) CDC7STK17AAURKBDYRK1AGSK3B
Formic Acid SCHEMBL3375290 0.90 DYRK1A (0.53) CDC7STK17AAURKBDYRK1AGSK3B
SCHEMBL13923963 0.88 CDC7 (0.63) CDC7STK17AAURKBDYRK1AGSK3B
SCHEMBL3374248 0.87 DYRK1A (0.56) CDC7STK17AAURKBDYRK1AGSK3B
Formic Acid SCHEMBL2087311 0.84 DYRK1A (0.53) DYRK1AGSK3B
SCHEMBL2088545 0.82 DYRK1A (0.53) CDC7DYRK1AGSK3B

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
EP-1742944-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2010-11-10 EP claimed
US-20050250808-A1 Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICAL CORPORATION 2005-11-10 US claimed
US-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2011-07-21 US disclosed
US-7902217-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2011-03-08 US disclosed
EP-1742944-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2010-11-10 EP disclosed
US-20090118232-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2009-05-07 US disclosed
US-7488737-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICAL CORPORATION (US) 2009-02-10 US disclosed
US-20050250808-A1 Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICAL CORPORATION 2005-11-10 US 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 (3 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-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 CDC7 1690/4885STK17A 885/4885AURKB 2407/4885
US-20050250808-A1 Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 CDC7 1690/4885STK17A 885/4885AURKB 2407/4885
US-20090118232-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 CDC7 1690/4885STK17A 885/4885AURKB 2407/4885

“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.