SCHEMBL17433341

SCHEMBL17433341

Cc1ccc([C@H](C)Nc2ncc(Cl)c(Nc3cc(OC(C)C)[nH]n3)n2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 10/20 0.59
JAK2 O60674 8/20 0.59
JAK3 P52333 7/20 0.59
AURKA O14965 6/20 0.59
IGF1R P08069 3/20 0.59
NTRK3 Q16288 2/20 0.59
NTRK2 Q16620 2/20 0.59
RET P07949 2/20 0.59
FGFR1 P11362 2/20 0.59
FLT3 P36888 2/20 0.59
PTK2 Q05397 2/20 0.59
TNK2 Q07912 2/20 0.59
LCK P06239 1/20 0.59
FYN P06241 1/20 0.59
FLT1 P17948 1/20 0.59
LTK P29376 1/20 0.59
KDR P35968 1/20 0.59
CSNK1A1 P48729 1/20 0.59
CLK2 P49760 1/20 0.59
CDK7 P50613 1/20 0.59

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
SCHEMBL588730 0.91 NTRK1 (0.73) NTRK1JAK2JAK3AURKAIGF1R
SCHEMBL18281508 0.91 NTRK1 (0.73) NTRK1JAK2JAK3AURKAIGF1R
SCHEMBL31060183 0.91 NTRK1 (0.73) NTRK1JAK2JAK3AURKAIGF1R
SCHEMBL29434985 0.91 NTRK1 (0.73) NTRK1JAK2JAK3AURKAIGF1R
Phosphoric Acid SCHEMBL3041888 0.86 NTRK1 (0.66) NTRK1JAK2JAK3AURKAIGF1R
Maleic Acid SCHEMBL4904780 0.84 NTRK1 (0.63) NTRK1JAK2JAK3AURKAIGF1R
SCHEMBL23808896 0.83 NTRK1 (0.75) NTRK1JAK2JAK3AURKAIGF1R
SCHEMBL3034183 0.82 NTRK1 (0.71) NTRK1JAK2JAK3AURKAIGF1R
SCHEMBL3349894 0.82 JAK2 (0.75) NTRK1JAK2JAK3AURKAIGF1R
SCHEMBL3345053 0.82 JAK2 (0.75) NTRK1JAK2JAK3AURKAIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11771698-B2 Methods of treating cholangiocarcinoma FOUNDATION MEDICINE, INC. (US) 2023-10-03 US disclosed
US-20160009785-A1 NOVEL FUSION MOLECULES AND USES THEREOF FOUNDATION MEDICINE, INC. 2016-01-14 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-20160009785-A1 NOVEL FUSION MOLECULES AND USES THEREOF RPS27A, CD2BP2, FGB NTRK1 1066/4885JAK2 2701/4885JAK3 3043/4885
US-11771698-B2 Methods of treating cholangiocarcinoma HCCS, PNLIP, LIPA NTRK1 2894/4885JAK2 1308/4885JAK3 1602/4885

“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.