SCHEMBL21734150

SCHEMBL21734150

C[C@@H]1c2nc(-c3ccc(F)cn3)c(-c3ccnc(-c4ccc(C(N)=O)cc4)c3)n2[C@H]2CC12

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.71
KDR P35968 10/20 0.53
MAPK14 Q16539 7/20 0.53
MAP4K4 O95819 1/20 0.39
TNIK Q9UKE5 1/20 0.36

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
SCHEMBL21733870 0.86 KDR (0.72) TGFBR1KDRMAPK14
SCHEMBL20074591 0.83 TGFBR1 (1.00) TGFBR1KDRMAPK14
SCHEMBL20074449 0.83 TGFBR1 (1.00) TGFBR1KDRMAPK14
SCHEMBL20074451 0.83 TGFBR1 (1.00) TGFBR1KDRMAPK14
SCHEMBL21734147 0.83 TGFBR1 (0.71) TGFBR1KDRMAPK14
SCHEMBL21277860 0.80 TGFBR1 (0.66) TGFBR1KDRMAPK14MAP4K4TNIK
SCHEMBL21733939 0.72 TGFBR1 (0.71) TGFBR1KDRMAPK14
SCHEMBL20074639 0.69 KDR (1.00) TGFBR1KDRMAPK14
SCHEMBL20074632 0.69 KDR (1.00) TGFBR1KDRMAPK14
SCHEMBL20074530 0.69 KDR (1.00) TGFBR1KDRMAPK14

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-10906905-B2 Five-membered heteroaryl ring bridged ring derivative, preparation method therefor and medical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-02-02 US disclosed
US-20200055852-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-02-20 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-10906905-B2 Five-membered heteroaryl ring bridged ring derivative, preparation method therefor and medical use thereof TGFBR1, TGFB2, TGFB1 TGFBR1 1/4885KDR 227/4885MAPK14 1887/4885
US-20200055852-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TGFBR1, TGFB2, TGFB1 TGFBR1 1/4885KDR 227/4885MAPK14 1887/4885

“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.