SCHEMBL20074414

SCHEMBL20074414

Cc1cccc(-c2nc3n(c2-c2ccnc(-c4ccc(C(=O)O)cc4)c2)C2CCC3C2)n1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.85
KDR P35968 9/20 0.85
MAPK14 Q16539 5/20 0.85

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
SCHEMBL20074560 0.92 TGFBR1 (1.00) TGFBR1KDRMAPK14
SCHEMBL20074463 0.92 TGFBR1 (1.00) TGFBR1KDRMAPK14
SCHEMBL20074555 0.92 TGFBR1 (1.00) TGFBR1KDRMAPK14
SCHEMBL20074410 0.91 TGFBR1 (1.00) TGFBR1KDRMAPK14
SCHEMBL21733960 0.90 TGFBR1 (0.75) TGFBR1KDRMAPK14
SCHEMBL20074460 0.89 TGFBR1 (0.80) TGFBR1KDRMAPK14
SCHEMBL20074459 0.86 TGFBR1 (1.00) TGFBR1KDRMAPK14
SCHEMBL20074503 0.86 TGFBR1 (1.00) TGFBR1KDRMAPK14
SCHEMBL20074464 0.86 TGFBR1 (1.00) TGFBR1KDRMAPK14
SCHEMBL20074398 0.86 TGFBR1 (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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108779115-B Five-membered heteroaromatic ring bridged ring derivative, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2021-02-26 CN disclosed
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-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
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
EP-3527570-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2019-08-21 EP disclosed
EP-3527570-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2019-08-21 EP disclosed
WO-2018068759-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2018-04-19 WO 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.