SCHEMBL29705692

SCHEMBL29705692

Clc1nc(NC2CCCC2)c2cn[nH]c2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.61
HTR2A P28223 2/20 0.51
PLK4 O00444 2/20 0.50
PAK4 O96013 2/20 0.50
HTR2C P28335 1/20 0.50
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
APAF1 O14727 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDE2A O00408 1/20 0.43
PAK1 Q13153 2/20 0.40
AXL P30530 1/20 0.40
LATS1 O95835 2/20 0.40
LATS2 Q9NRM7 1/20 0.40

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
SCHEMBL22282069 1.00 HPGDS (0.61) HPGDSHTR2APLK4PAK4HTR2C
SCHEMBL22281549 0.98 HPGDS (0.60) HPGDSHTR2APLK4PAK4HTR2C
SCHEMBL3754341 0.94 HPGDS (0.53) HPGDSHTR2APLK4PAK4HTR2C
Hydrochloric Acid SCHEMBL22497004 0.85 PLK4 (0.47) HPGDSHTR2APLK4PAK4HTR2C
Hydrochloric Acid SCHEMBL22497005 0.85 PLK4 (0.47) HPGDSHTR2APLK4PAK4HTR2C
SCHEMBL3755112 0.83 PLK4 (0.43) HPGDSPLK4PAK4PDE2APAK1
SCHEMBL3755106 0.83 PLK4 (0.43) HPGDSPLK4PAK4PDE2APAK1
SCHEMBL8293780 0.81 HPGDS (0.60) HPGDSHTR2APLK4PAK4HTR2C
SCHEMBL28610635 0.80 BTK (0.53) PAK1
SCHEMBL28610634 0.80 BTK (0.53) PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250368677-A1 CD73 INHIBITORS ORIC PHARMACEUTICALS INC (US) 2025-12-04 US disclosed
CN-119371459-A Compound and application thereof 重庆医药工业研究院有限责任公司 2025-01-28 CN disclosed
CN-117642411-A Small molecule CD73 antagonists and uses thereof 西藏海思科制药有限公司 2024-03-01 CN disclosed
US-11807658-B2 CD73 inhibitors ORIC PHARMACEUTICALS, INC. (US) 2023-11-07 US disclosed
US-20220220147-A1 CD73 INHIBITORS ORIC PHARMACEUTICALS, INC. 2022-07-14 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 (3 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-11807658-B2 CD73 inhibitors ENTPD5, NT5E, ENTPD1 HPGDS 1452/4885HTR2A 1124/4885PLK4 3744/4885
US-20220220147-A1 CD73 INHIBITORS ENTPD5, NT5E, ENTPD1 HPGDS 1452/4885HTR2A 1124/4885PLK4 3744/4885
US-20250368677-A1 CD73 INHIBITORS ENTPD5, NT5E, ENTPD1 HPGDS 1452/4885HTR2A 1124/4885PLK4 3744/4885

“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.