SCHEMBL3336981

SCHEMBL3336981

COCC(C)Nc1ncnc2scc(C)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ PIP4K2C Q8TBX8 1/20 0.43
▸ TP53 P04637 2/20 0.42
▸ LMNA P02545 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ NOD2 Q9HC29 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MRGPRX1 Q96LB2 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ FGFR1 P11362 1/20 0.36

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
SCHEMBL3339594 0.78 LMNA (0.44) RAB9AHTTSMN1; SMN2IRAK4PIP4K2C
SCHEMBL12392601 0.74 LMNA (0.48) RAB9AHTTPIP4K2CTP53LMNA
SCHEMBL16091163 0.72 TP53 (0.45) RAB9AHTTSMN1; SMN2TP53LMNA
SCHEMBL12392604 0.72 PIP4K2C (0.41) RAB9AHTTSMN1; SMN2IRAK4PIP4K2C
SCHEMBL16090918 0.71 TP53 (0.47) RAB9ATP53LMNAKDM4EMEN1
SCHEMBL3797468 0.70 RAB9A (0.47) RAB9AHTTSMN1; SMN2IRAK4PIP4K2C
SCHEMBL3342400 0.70 SMN1; SMN2 (0.62) RAB9AHTTSMN1; SMN2IRAK4PIP4K2C
SCHEMBL17623352 0.69 TP53 (0.41) RAB9ATP53KDM4EMEN1NPC1
SCHEMBL12392499 0.69 EGFR (0.49) RAB9AHTTSMN1; SMN2IRAK4PIP4K2C
SCHEMBL3796872 0.69 RAB9A (0.47) RAB9AHTTSMN1; SMN2IRAK4PIP4K2C

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-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 — — 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 (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-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 RAB9A 2578/4885HTT 383/4885SMN1; SMN2 4740/4885

“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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