SCHEMBL20074446

SCHEMBL20074446

Cc1cccc(-c2nn3c(c2-c2ccc4ncnn4c2)C2CCC3CC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 1.00
MAPK14 Q16539 3/20 0.56
KDR P35968 2/20 0.53

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
SCHEMBL21278019 0.94 TGFBR1 (0.89) TGFBR1MAPK14KDR
SCHEMBL20074630 0.83 TGFBR1 (0.71) TGFBR1MAPK14KDR
SCHEMBL8229197 0.78 TGFBR1 (0.64) TGFBR1MAPK14
SCHEMBL21733852 0.77 TGFBR1 (0.63) TGFBR1MAPK14
SCHEMBL20074571 0.77 TGFBR1 (1.00) TGFBR1MAPK14KDR
SCHEMBL410500 0.74 TGFBR1 (0.65) TGFBR1MAPK14
SCHEMBL20074686 0.72 TGFBR1 (0.55) TGFBR1MAPK14KDR
SCHEMBL412127 0.72 TGFBR1 (0.62) TGFBR1MAPK14
SCHEMBL8229195 0.72 TGFBR1 (0.56) TGFBR1MAPK14
SCHEMBL20074435 0.72 TGFBR1 (1.00) TGFBR1MAPK14KDR

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 7 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-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 1/4885MAPK14 1887/4885KDR 227/4885
US-20200055852-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TGFBR1, TGFB2, TGFB1 TGFBR1 1/4885MAPK14 1887/4885KDR 227/4885

“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.