SCHEMBL22013228

SCHEMBL22013228

C=CC[C@H](N)c1cc(F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.41
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
PSEN1 P49768 4/20 0.36
PSEN2 P49810 4/20 0.36
APH1B Q8WW43 4/20 0.36
NCSTN Q92542 4/20 0.36
APH1A Q96BI3 4/20 0.36
PSENEN Q9NZ42 4/20 0.36
DPP8 Q6V1X1 1/20 0.34
LMNA P02545 1/20 0.33
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PDCD1LG2 Q9BQ51 2/20 0.32
CD274 Q9NZQ7 2/20 0.32

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
SCHEMBL24351047 0.86 DPP4 (0.41) DPP4CES2CES1PSEN1PSEN2
SCHEMBL25265289 0.83 DPP4 (0.36) DPP4CES2CES1PSEN1PSEN2
SCHEMBL25188775 0.83 DPP4 (0.36) DPP4CES2CES1PSEN1PSEN2
SCHEMBL16962554 0.80 CES2 (0.38) DPP4CES2CES1PSEN1PSEN2
SCHEMBL28491946 0.79 PDCD1LG2 (0.39) ALDH1A1PDCD1LG2CD274NFE2L2
SCHEMBL30152526 0.79 PDCD1LG2 (0.39) ALDH1A1PDCD1LG2CD274NFE2L2
SCHEMBL28491947 0.79 PDCD1LG2 (0.39) ALDH1A1PDCD1LG2CD274NFE2L2
SCHEMBL20645864 0.79 CES2 (0.44) CES2CES1PSEN1PSEN2APH1B
SCHEMBL19332982 0.78 CYP2C19 (0.38) CES2CES1ALDH1A1PDCD1LG2CD274
Hydrochloric Acid SCHEMBL28346335 0.78 PDCD1LG2 (0.38) ALDH1A1PDCD1LG2CD274NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144827-A1 FIVE-AND-SIX-MEMBERED HETEROCYCLIC COMPOUND AND USE THEREOF AS PROTEIN RECEPTOR KINASE INHIBITOR SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2022-05-12 US disclosed
US-20220017512-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2022-01-20 US disclosed
EP-3919490-A1 FIVE-AND-SIX-MEMBERED HETEROCYCLIC COMPOUND AND USE THEREOF AS PROTEIN RECEPTOR KINASE INHIBITOR Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-12-08 EP disclosed
EP-3882247-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-09-22 EP disclosed
WO-2021098745-A1 PREPARATION AND APPLICATION OF A CLASS OF PROTEIN RECEPTOR KINASE INHIBITORS 上海轶诺药业有限公司 2021-05-27 WO disclosed
WO-2020114465-A1 PREPARATION AND APPLICATION OF HETEROAROMATIC IMINAZOLE COMPOUND 上海轶诺药业有限公司 2020-06-11 WO disclosed
WO-2020098720-A1 FIVE-AND-SIX-MEMBERED HETEROCYCLIC COMPOUND AND USE THEREOF AS PROTEIN RECEPTOR KINASE INHIBITOR 上海轶诺药业有限公司 2020-05-22 WO disclosed
WO-2020098723-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR 上海轶诺药业有限公司 2020-05-22 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-20220017512-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR GRK6, ERBB2, ERBB3 DPP4 2371/4885CES2 4749/4885CES1 3572/4885
US-20220144827-A1 FIVE-AND-SIX-MEMBERED HETEROCYCLIC COMPOUND AND USE THEREOF AS PROTEIN RECEPTOR KINASE INHIBITOR GRK6, GRK3, ERBB2 DPP4 2862/4885CES2 4624/4885CES1 3496/4885

“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.