SCHEMBL21979409

SCHEMBL21979409

Cc1ccc(Br)c2c(Cl)ccnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
PLK4 O00444 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
CDK1 P06493 1/20 0.33
PIM1 P11309 1/20 0.33
CDK2 P24941 1/20 0.33
SYK P43405 1/20 0.33
CLK2 P49760 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PRKAA1 Q13131 1/20 0.33
CAMK2B Q13554 1/20 0.33
CAMK2G Q13555 1/20 0.33
CAMK2D Q13557 1/20 0.33
DYRK1A Q13627 1/20 0.33
TAOK1 Q7L7X3 1/20 0.33

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
SCHEMBL29671106 1.00 CCR1 (0.36) CCR1CCR5CCR8PLK4AURKA
SCHEMBL15146338 0.79 CCR1 (0.45) CCR1CCR5CCR8CYP3A4MAPT
SCHEMBL21978995 0.78 HTT (0.41) CCR1CCR5CCR8CDK1CDK2
SCHEMBL21979028 0.76 AXL (0.31) AXLPRKCI
SCHEMBL30901343 0.76 AXL (0.31) AXLPRKCI
SCHEMBL17275145 0.72 CCR1 (0.46) CCR1CCR5CCR8NPC1MAPT
SCHEMBL18980173 0.71 CCR1 (0.39) CCR1CCR5CCR8NPC1CYP1A2
SCHEMBL11804205 0.71 CCR1 (0.54) CCR1CCR5CCR8NPC1HTR1A
SCHEMBL15011055 0.70 CCR1 (0.41) CCR1CCR5CCR8NPC1CYP1A2
SCHEMBL6537500 0.70 NR4A2 (0.41) CCR1CCR5CCR8CDK2CYP3A4

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
EP-3873605-B1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES INC (US) 2024-10-23 EP disclosed
CN-112969504-B Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2024-04-09 CN disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
EP-3873605-A1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES, INC. (US) 2021-09-08 EP disclosed
CN-112969504-A Compounds for inhibiting alpha 4 beta 7 integrins 吉利德科学公司 2021-06-15 CN disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 CCR1 678/4885CCR5 216/4885CCR8 648/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 CCR1 622/4885CCR5 170/4885CCR8 394/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 CCR1 678/4885CCR5 216/4885CCR8 648/4885

“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.