SCHEMBL21454987

SCHEMBL21454987

CNC(=O)c1ccccc1NC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
POLB P06746 2/20 0.49
PLK1 P53350 1/20 0.49
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
ALDH1A1 P00352 5/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 3/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CXCR2 P25025 2/20 0.42
USP2 O75604 1/20 0.42
ATM Q13315 1/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ULK1 O75385 1/20 0.41
IDO1 P14902 1/20 0.41
MAPK10 P53779 1/20 0.41

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
SCHEMBL18893268 0.85 ALDH1A1 (0.59) POLBADRA1DADRA1AADRA1BALDH1A1
SCHEMBL960115 0.84 CTSD (0.50) GAAADRA1DADRA1AADRA1BALDH1A1
SCHEMBL1899962 0.81 KMT2A (0.54) GAAADRA1AALDH1A1PKMKDM4E
SCHEMBL12411070 0.81 AKR1C3 (0.46) POLBALDH1A1PKMKDM4ECXCR2
SCHEMBL31552440 0.81 AKR1C3 (0.46) POLBALDH1A1PKMKDM4ECXCR2
SCHEMBL9256791 0.80 CXCR2 (0.44) GAAPOLBPLK1ADRA1DADRA1A
SCHEMBL2061071 0.80 POLB (0.62) GAAPOLBPLK1ADRA1DADRA1A
SCHEMBL8585957 0.80 KMT2A (0.58) GAAALDH1A1
SCHEMBL12963990 0.79 TP53 (0.42) POLBALDH1A1PKMKDM4EHTT
SCHEMBL2104582 0.79 KDM4E (0.50) POLBALDH1A1PKMKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968234-B2 Compound containing tricyclic heteroaryl group HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2021-04-06 US disclosed
US-20200354376-A1 COMPOUND CONTAINING TRICYCLIC HETEROARYL GROUP HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2020-11-12 US disclosed
US-10730887-B2 Compound containing tricyclic heteroaryl group HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2020-08-04 US disclosed
US-20190308993-A1 COMPOUND CONTAINING TRICYCLIC HETEROARYL GROUP HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2019-10-10 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 (4 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-20190308993-A1 COMPOUND CONTAINING TRICYCLIC HETEROARYL GROUP JAK3, ERBB3, CDK3 GAA 3047/4885POLB 3467/4885PLK1 338/4885
US-10968234-B2 Compound containing tricyclic heteroaryl group JAK3, ERBB3, CDK3 GAA 3217/4885POLB 3567/4885PLK1 346/4885
US-20200354376-A1 COMPOUND CONTAINING TRICYCLIC HETEROARYL GROUP JAK3, ERBB3, CDK3 GAA 3217/4885POLB 3567/4885PLK1 346/4885
US-10730887-B2 Compound containing tricyclic heteroaryl group JAK3, ERBB3, CDK3 GAA 3047/4885POLB 3467/4885PLK1 338/4885

“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.