SCHEMBL14236271

SCHEMBL14236271

Clc1cnc2c(c1)C(Cc1cnc(NCc3ccccc3)nc1)CN2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 4/20 0.41
▸ SLC6A4 P31645 1/20 0.38
▸ ATM Q13315 1/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ CACNA1G O43497 1/20 0.35
▸ CACNA1H O95180 1/20 0.35
▸ CACNA1I Q9P0X4 1/20 0.35
▸ ICOSLG O75144 1/20 0.34
▸ ICOS Q9Y6W8 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ IGF1R P08069 1/20 0.33

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
SCHEMBL14236090 0.91 HDAC3 (0.45) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL14236211 0.91 HDAC1 (0.38) VNN1SLC6A4HDAC3HDAC1HDAC2
SCHEMBL14236274 0.90 VNN1 (0.41) VNN1SLC6A4HDAC3HDAC1HDAC2
SCHEMBL14236264 0.89 VNN1 (0.42) VNN1SLC6A4HDAC3HDAC1HDAC2
SCHEMBL14236233 0.89 NTRK1 (0.41) NTRK1
SCHEMBL14235596 0.86 NTRK1 (0.33) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL14235722 0.85 HDAC3 (0.47) SLC6A4HDAC3HDAC1HDAC2HDAC6
SCHEMBL14235899 0.85 P2RX7 (0.33) SLC6A4ALDH1A1
SCHEMBL12304080 0.84 VNN1 (0.41) VNN1SLC6A4HDAC3HDAC1HDAC2
SCHEMBL14235887 0.83 SLC2A1 (0.43) ATMHDAC3HDAC1HDAC2HDAC6

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-20120309756-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC 2012-12-06 — — 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-20120309756-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 VNN1 2851/4885SLC6A4 3913/4885ATM 2050/4885

“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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