SCHEMBL22001803

SCHEMBL22001803

CNCCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.82
KDR P35968 5/20 0.82
PDGFRB P09619 4/20 0.82
BRAF P15056 4/20 0.82
RET P07949 3/20 0.82
RIPK2 O43353 2/20 0.82
ABCB11 O95342 2/20 0.82
ABL1 P00519 2/20 0.82
HTR1A P08908 2/20 0.82
ADORA3 P0DMS8 2/20 0.82
KIT P10721 2/20 0.82
FGFR1 P11362 2/20 0.82
PDGFRA P16234 2/20 0.82
FLT1 P17948 2/20 0.82
MAOA P21397 2/20 0.82
EPHA1 P21709 2/20 0.82
TBXA2R P21731 2/20 0.82
EPHA2 P29317 2/20 0.82
TTK P33981 2/20 0.82
EPHX2 P34913 2/20 0.82

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
SCHEMBL22001800 0.92 RAF1 (0.82) RAF1KDRPDGFRBBRAFRET
SCHEMBL14964383 0.91 RAF1 (0.84) RAF1KDRPDGFRBBRAFRET
SCHEMBL15114774 0.90 RAF1 (0.81) RAF1KDRPDGFRBBRAFRET
SCHEMBL30488802 0.90 RAF1 (0.81) RAF1KDRPDGFRBBRAFRET
Regorafenib SCHEMBL29351376 0.90 RAF1 (1.00) RAF1KDRPDGFRBBRAFRET
Regorafenib SCHEMBL29349808 0.90 RAF1 (1.00) RAF1KDRPDGFRBBRAFRET
Regorafenib SCHEMBL432230 0.90 RAF1 (1.00) RAF1KDRPDGFRBBRAFRET
Regorafenib SCHEMBL29496390 0.89 RAF1 (0.98) RAF1KDRPDGFRBBRAFRET
Regorafenib SCHEMBL29555444 0.89 RAF1 (0.98) RAF1KDRPDGFRBBRAFRET
Regorafenib SCHEMBL2555101 0.89 RAF1 (0.98) RAF1KDRPDGFRBBRAFRET

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
EP-4108675-A1 PREPARATION AND USE OF IMMUNOSTIMULATORY COUPLING COMPLEX WHICH IS DELIVERED AND ACTIVATED IN TARGETED MANNER Yafei Shanghai Biolog Medicine Science & Technology Co., Ltd. (CN) 2022-12-28 EP disclosed
US-11078232-B2 Preparation and use of molecular site targeted and activated kinase inhibitor Yafei Shanghai Biology Medicine Science & Technology Co. Ltd. (CN) 2021-08-03 US disclosed
US-20200140485-A1 PREPARATION AND USE OF MOLECULAR SITE TARGETED AND ACTIVATED KINASE INHIBITOR Yafei Shanghai Biology Medicine Science & Technology Co. Ltd. (CN) 2020-05-07 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-11078232-B2 Preparation and use of molecular site targeted and activated kinase inhibitor ACP1, PACSIN2, PKN2 RAF1 127/4885KDR 1924/4885PDGFRB 1450/4885
US-20200140485-A1 PREPARATION AND USE OF MOLECULAR SITE TARGETED AND ACTIVATED KINASE INHIBITOR ACP1, PACSIN2, PKN2 RAF1 122/4885KDR 1954/4885PDGFRB 1547/4885

“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.