SCHEMBL19956901

SCHEMBL19956901

CNc1c(Nc2cccc(C(F)(F)F)c2)c(=O)c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 3/20 0.59
RAPGEF4 Q8WZA2 1/20 0.59
CHEK1 O14757 1/20 0.49
DAPK3 O43293 1/20 0.49
ROCK2 O75116 1/20 0.49
RPS6KA5 O75582 1/20 0.49
CHEK2 O96017 1/20 0.49
ABL1 P00519 1/20 0.49
PRKACA P17612 1/20 0.49
RPS6KB1 P23443 1/20 0.49
AKT1 P31749 1/20 0.49
AKT2 P31751 1/20 0.49
CLK2 P49760 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
RPS6KA3 P51812 1/20 0.49
CSNK1G2 P78368 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PRKG2 Q13237 1/20 0.49
ROCK1 Q13464 1/20 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
SCHEMBL7571748 0.77 POLB (0.51) IDH2RAPGEF4CHEK1DAPK3ROCK2
SCHEMBL1420853 0.77 IDH2 (0.66) IDH2RAPGEF4HTTKIF11MAPT
SCHEMBL31395652 0.77 IDH2 (0.66) IDH2RAPGEF4HTTKIF11MAPT
SCHEMBL394991 0.77 KIF11 (0.70) IDH2RAPGEF4HTTADORA2AKIF11
SCHEMBL20057556 0.77 NPSR1 (0.53) RAPGEF4CHEK1DAPK3ROCK2CHEK2
Hydrochloric Acid SCHEMBL1426717 0.76 IDH2 (0.64) IDH2RAPGEF4HTTKIF11MAPT
Hydrochloric Acid SCHEMBL29734740 0.76 IDH2 (0.64) IDH2RAPGEF4HTTKIF11MAPT
SCHEMBL30671654 0.76 ALDH1A1 (0.59) IDH2RAPGEF4ADORA2AKIF11DHODH
SCHEMBL11566545 0.75 ALDH1A1 (0.68) IDH2RAPGEF4KIF11MAPTALDH1A1
SCHEMBL30568833 0.74 IDH2 (1.00) IDH2MAPTLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654808-B2 Tyrosine kinase inhibitor and pharmaceutical composition comprising same Guangdong Raynovent Biotech Co., Ltd. (CN) 2020-05-19 US disclosed
US-20190119217-A1 TYROSINE KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-04-25 US disclosed
EP-3293177-A1 TYROSINE KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-14 EP 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-20190119217-A1 TYROSINE KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ABL1, LCK, ERBB2 IDH2 935/4885RAPGEF4 2446/4885CHEK1 393/4885
US-10654808-B2 Tyrosine kinase inhibitor and pharmaceutical composition comprising same ABL1, LCK, ERBB2 IDH2 935/4885RAPGEF4 2446/4885CHEK1 393/4885

“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.