Formic Acid

Formic Acid

SCHEMBL14482459

CCCN1C(=O)C(C)(C)Oc2ccc(Nc3nc(Nc4ccc(N5CCN(C)CC5)nc4)ncc3Cl)cc21.O=CO

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 1/20 0.52
▸ BRD4 O60885 10/20 0.48
▸ EGFR P00533 2/20 0.45
▸ JAK3 P52333 2/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ JAK1 P23458 1/20 0.45
▸ MAP3K7 O43318 2/20 0.43
▸ ALK Q9UM73 1/20 0.43
▸ CCNK O75909 1/20 0.42
▸ CCND3 P30281 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ CDK6 Q00534 1/20 0.42
▸ SLC2A1 P11166 1/20 0.42

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
SCHEMBL3122460 0.96 CTSC (0.55) CTSCBRD4EGFRJAK3JAK2
Formic Acid SCHEMBL14482025 0.94 CTSC (0.54) CTSCBRD4EGFRJAK3JAK2
Formic Acid SCHEMBL14481828 0.93 JAK1 (0.54) CTSCBRD4JAK3JAK2CYP3A4
SCHEMBL3108564 0.91 CTSC (0.57) CTSCBRD4EGFRJAK3JAK2
SCHEMBL3118310 0.89 JAK1 (0.57) CTSCBRD4JAK3JAK2CYP3A4
SCHEMBL3112812 0.88 BRD4 (0.61) CTSCBRD4EGFRJAK3JAK2
Formic Acid SCHEMBL14482084 0.88 CTSC (0.52) CTSCBRD4EGFRJAK3JAK2
SCHEMBL12854649 0.87 CTSC (0.58) CTSCBRD4EGFRJAK3JAK2
Formic Acid SCHEMBL15388293 0.86 BRD4 (0.57) CTSCBRD4EGFRJAK3JAK2
SCHEMBL3109342 0.84 CTSC (0.56) CTSCBRD4EGFRJAK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040527-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-05-26 — — US disclosed
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 — — US disclosed
US-8518937-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-08-27 — — US disclosed
US-20130012501-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. 2013-01-10 — — 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 (2 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-20130012501-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK CTSC 2302/4885BRD4 758/4885EGFR 1807/4885
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK CTSC 2302/4885BRD4 758/4885EGFR 1807/4885

“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.

Send feedback