SCHEMBL22468097

SCHEMBL22468097

Cc1ccc2nc(NC(=N)N)oc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
KDM4E B2RXH2 6/20 0.47
NPC1 O15118 10/20 0.46
RAB9A P51151 10/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 5/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 4/20 0.45
FBP1 P09467 1/20 0.44
RPS6KA3 P51812 1/20 0.44
USP2 O75604 1/20 0.43
MAPK10 P53779 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ATM Q13315 1/20 0.42
TP53 P04637 3/20 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
SCHEMBL23933064 0.88 RAB9A (0.55) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL23933083 0.82 S1PR3 (0.54) MAPTRAB9AFBP1S1PR1S1PR3
SCHEMBL23932941 0.82 HCRTR1 (0.42) S1PR1S1PR3
SCHEMBL23932822 0.81 FBP1 (0.47) KDM4EFBP1
SCHEMBL15450923 0.80 PIK3CA (0.51) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2134640 0.79 MAPT (0.54) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2544240 0.78 MAPT (0.48) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL11258897 0.78 AGPAT2 (0.58) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL880339 0.78 NPC1 (0.53) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL22468052 0.76 NPC1 (0.50) MAPTKDM4ENPC1RAB9ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
US-11440906-B2 Biguanide derivatives and their rearrangement products for use in the treatment of cancer CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-09-13 US disclosed
WO-2021216812-A1 GALACTOKINASE INHIBITORS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2021-10-28 WO disclosed
EP-3728211-A1 BIGUANIDE DERIVATIVES AND THEIR REARRANGEMENT PRODUCTS FOR USE IN THE TREATMENT OF CANCER Centre National de la Recherche Scientifique (FR) 2020-10-28 EP disclosed
CN-111836803-A Compounds and their use in the treatment of cancer 国家科学研究中心 2020-10-27 CN disclosed
US-20200308156-A1 BIGUANIDE DERIVATIVES AND THEIR REARRANGEMENT PRODUCTS FOR USE IN THE TREATMENT OF CANCER INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2020-10-01 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-20230158025-A1 GALACTOKINASE INHIBITORS GALK1, GCK, GCKR MAPT 2129/4885KDM4E 2218/4885NPC1 3021/4885
US-20200308156-A1 BIGUANIDE DERIVATIVES AND THEIR REARRANGEMENT PRODUCTS FOR USE IN THE TREATMENT OF CANCER BCR, G6PD, BRAF MAPT 4792/4885KDM4E 2241/4885NPC1 4467/4885
US-11440906-B2 Biguanide derivatives and their rearrangement products for use in the treatment of cancer BCR, G6PD, BRAF MAPT 4792/4885KDM4E 2241/4885NPC1 4467/4885

“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.