SCHEMBL21733843

SCHEMBL21733843

Cc1cccc(-c2nc3n(c2Br)[C@H](C)CC[C@@H]3C)n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
TGFBR1 P36897 19/20 0.38
MAPK14 Q16539 4/20 0.38
KDR P35968 4/20 0.38
THRB P10828 1/20 0.34

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
SCHEMBL21277973 0.76 TGFBR1 (0.58) TGFBR1MAPK14KDR
SCHEMBL20074379 0.76 TGFBR1 (0.58) TGFBR1MAPK14KDR
SCHEMBL29156790 0.69 NPC1 (0.51) CCR1CCR8TGFBR1MAPK14THRB
SCHEMBL21277848 0.67 TGFBR1 (0.43) CCR1CCR8TGFBR1MAPK14THRB
SCHEMBL22930822 0.65 TGFBR1 (0.60) TGFBR1MAPK14KDR
SCHEMBL1347781 0.65 AVPR1A (0.44) CCR1CCR8TGFBR1
SCHEMBL21277829 0.64 TGFBR1 (0.46) TGFBR1MAPK14THRB
SCHEMBL20158579 0.63 TGFBR1 (0.48) CCR1CCR8TGFBR1MAPK14KDR
SCHEMBL14576819 0.62 CCR1 (0.37) CCR1CCR8TGFBR1MAPK14THRB
SCHEMBL20158844 0.61 TGFBR1 (0.50) CCR1CCR8TGFBR1MAPK14KDR

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 CCR1 3095/4885CCR8 1779/4885TGFBR1 1/4885
US-20200055852-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TGFBR1, TGFB2, TGFB1 CCR1 3095/4885CCR8 1779/4885TGFBR1 1/4885

“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.