SCHEMBL21497072

SCHEMBL21497072

COc1cc(Br)ccc1NC1=NCCN1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 8/20 0.60
ADRA2B P18089 8/20 0.60
ADRA2C P18825 8/20 0.60
ADRA1D P25100 7/20 0.60
ADRA1A P35348 6/20 0.60
ADRA1B P35368 6/20 0.60
LMNA P02545 2/20 0.54
STAT3 P40763 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
KDM4E B2RXH2 1/20 0.48
NR1I2 O75469 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL30617426 1.00 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8022622 0.80 ADRA2A (0.65) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6054561 0.73 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11159838 0.73 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6315495 0.73 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL5438278 0.72 ADRA2A (0.66) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11162465 0.72 ADRA2A (0.58) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11156792 0.72 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6752090 0.71 ADRA2A (0.52) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8024286 0.70 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4600247-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2025-08-13 EP disclosed
EP-3781556-B1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES INC (US) 2025-06-18 EP disclosed
CN-112041311-B PD-1/PD-L1 inhibitors 吉利德科学公司 2023-10-03 CN disclosed
EP-3781556-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-02-24 EP disclosed
US-10899735-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2021-01-26 US disclosed
CN-112041311-A PD-1/PD-L1 inhibitors 吉利德科学公司 2020-12-04 CN disclosed
US-20190345131-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2019-11-14 US disclosed
WO-2019204609-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2019-10-24 WO disclosed
WO-2019204609-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2019-10-24 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-10899735-B2 PD-1/PD-L1 inhibitors PDCD1, CD274, PDCD1LG2 ADRA2A 3950/4885ADRA2B 3921/4885ADRA2C 4100/4885
US-20190345131-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 ADRA2A 3950/4885ADRA2B 3921/4885ADRA2C 4100/4885

“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.