SCHEMBL4125812

SCHEMBL4125812

N#CCCCCc1cnn2c(Cl)nc(SCc3ccccc3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
CTSB P07858 5/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 2/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL13894902 0.88 CTSB (0.36) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL4108740 0.88 CTSB (0.36) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL4119289 0.82 CSNK2A1 (0.34) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL14287456 0.82 RAB9A (0.42) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL13657244 0.75 RAB9A (0.39) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL13650599 0.75 RAB9A (0.43) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL14287459 0.69 RAB9A (0.42) ALDH1A1CYP1A2CTSBNPC1RAB9A
SCHEMBL4119730 0.69 CDK2 (0.37)
SCHEMBL4111647 0.65 ATM (0.32)
SCHEMBL4107784 0.64 TBXAS1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064214-B1 Pyrazolo[l,5-a][1,3,5]triazine and pyrazolo[1,5-a]pyrimidine derivatives useful as protein kinase inhibitors POLARIS GROUP (TW) 2013-01-30 EP disclosed
EP-2064214-B1 Pyrazolo[l,5-a][1,3,5]triazine and pyrazolo[1,5-a]pyrimidine derivatives useful as protein kinase inhibitors POLARIS GROUP (TW) 2013-01-30 EP disclosed
US-20090247501-A1 PROTEIN KINASE INHIBITORS POLARIS GROUP (TW) 2009-10-01 US disclosed
US-20090247501-A1 PROTEIN KINASE INHIBITORS POLARIS GROUP (TW) 2009-10-01 US disclosed
US-20090247501-A1 PROTEIN KINASE INHIBITORS POLARIS GROUP (TW) 2009-10-01 US disclosed
US-7517882-B2 Protein kinase inhibitors POLARIS GROUP (CN) 2009-04-14 US disclosed
US-7517882-B2 Protein kinase inhibitors POLARIS GROUP (CN) 2009-04-14 US disclosed
US-20080070893-A1 Protein Kinase Inhibitors POLARIS GROUP (CN) 2008-03-20 US disclosed
US-20080070893-A1 Protein Kinase Inhibitors POLARIS GROUP (CN) 2008-03-20 US disclosed
US-20080070893-A1 Protein Kinase Inhibitors POLARIS GROUP (CN) 2008-03-20 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-20080070893-A1 Protein Kinase Inhibitors MAP3K15, MAP3K20, MAP3K5 ALDH1A1 4425/4885MEN1 2503/4885KMT2A 975/4885
US-20090247501-A1 PROTEIN KINASE INHIBITORS MAP3K15, MAP3K20, MAP3K5 ALDH1A1 4425/4885MEN1 2503/4885KMT2A 975/4885

“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.