SCHEMBL12368258

SCHEMBL12368258

Cc1nc(N)nc(N)c1-c1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HEXA P06865 4/20 0.47
▸ HEXB P07686 4/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ CYP1A2 P05177 3/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ DHFR P00374 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CASP3 P42574 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL12368257 0.85 HEXA (0.64) HEXAHEXBMEN1KMT2ACYP1A2
SCHEMBL1885367 0.85 HEXA (0.50) HEXAHEXBMEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL1889973 0.83 HEXA (0.49) HEXAHEXBMEN1KMT2ACYP1A2
SCHEMBL11593238 0.81 KMT2A (0.63) HEXAHEXBMEN1KMT2ARAB9A
SCHEMBL4526810 0.81 HEXA (0.47) HEXAHEXBMEN1KMT2ACYP1A2
SCHEMBL3500167 0.81 DHFR (0.61) HEXAHEXBKMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL4537159 0.80 HEXA (0.46) HEXAHEXBMEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL4535303 0.80 DHFR (0.42) HEXAHEXBMEN1KMT2ACYP1A2
SCHEMBL14358933 0.79 HEXA (0.65) HEXAHEXBDHFRKDM4EHTT
SCHEMBL12368256 0.77 HEXA (0.73) HEXAHEXBMEN1KMT2ACYP1A2

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-20150272951-A1 COMPOUNDS FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES HOSPITAL FOR SICK CHILDREN (CA) 2015-10-01 — — US disclosed
US-20150272951-A1 COMPOUNDS FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES HOSPITAL FOR SICK CHILDREN (CA) 2015-10-01 — — US disclosed
US-20110195985-A1 COMPOUNDS FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES THE HOSPITAL FOR SICK CHILDREN (CA) 2011-08-11 — — US disclosed
US-20110195985-A1 COMPOUNDS FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES THE HOSPITAL FOR SICK CHILDREN (CA) 2011-08-11 — — 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 (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-20150272951-A1 COMPOUNDS FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES GAA, GBA1, MAN2B1 HEXA 48/4885HEXB 59/4885MEN1 2216/4885
US-20110195985-A1 COMPOUNDS FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES GAA, GBA1, MAN2B1 HEXA 48/4885HEXB 59/4885MEN1 2216/4885

“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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