SCHEMBL22268064

SCHEMBL22268064

COc1nc(C)nc2cn[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.41
▸ PTK2 Q05397 1/20 0.41
▸ MAPT P10636 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SLC2A1 P11166 1/20 0.32
▸ DYRK1A Q13627 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ AXL P30530 1/20 0.31
▸ KDR P35968 2/20 0.31
▸ TUBB4A P04350 1/20 0.31
▸ TUBB P07437 1/20 0.31
▸ TUBA3C P0DPH7 1/20 0.31
▸ TUBA1B P68363 1/20 0.31
▸ TUBA4A P68366 1/20 0.31
▸ TUBB4B P68371 1/20 0.31
▸ TUBB3 Q13509 1/20 0.31
▸ TUBB2A Q13885 1/20 0.31
▸ TUBB8 Q3ZCM7 1/20 0.31

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
SCHEMBL22119097 0.80 HTT (0.36) HTTPTK2KDM4EALDH1A1HPGD
SCHEMBL20674123 0.76 HTT (0.47) HTTPTK2MAPTALDH1A1SLC2A1
SCHEMBL23889355 0.73 HTT (0.44) HTTPTK2MAPTSLC2A1
SCHEMBL19661001 0.73 HTT (0.44) HTTPTK2MAPTSLC2A1
SCHEMBL24121744 0.73 HTT (0.44) HTTPTK2MAPTALDH1A1SLC2A1
SCHEMBL8423993 0.72 HTT (0.42) HTTPTK2MAPTALDH1A1SLC2A1
SCHEMBL22661958 0.66 NOS1 (0.38) MAPTKDM4EALDH1A1HPGDDYRK1A
SCHEMBL25204558 0.66 AXL (0.44) MAPTKDM4EALDH1A1HPGDDYRK1A
SCHEMBL19964519 0.64 HTT (0.52) HTTPTK2MAPTALDH1A1SLC2A1
SCHEMBL6850243 0.64 SLC2A1 (0.44) HTTPTK2MAPTSLC2A1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723741-B1 DNA polymerase IIIC inhibitors and use thereof ACURX PHARMACEUTICALS, LLC (US) 2020-07-28 — — 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 (1 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-10723741-B1 DNA polymerase IIIC inhibitors and use thereof POLI, POLN, POLB HTT 3270/4885PTK2 4402/4885MAPT 3107/4885

“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.

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