SCHEMBL1018323

SCHEMBL1018323

O=C(NC1CCCCC1)c1cnc(Cl)nc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
NR3C1 P04150 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 2/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 2/20 0.49
CNR1 P21554 2/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.46
JUN P05412 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL30961274 0.98 NR3C1 (0.49) NPC1RAB9ANR3C1SMN1; SMN2GAA
SCHEMBL26930614 0.83 HRH3 (0.51) NR3C1KMT2AALDH1A1HPGD
SCHEMBL20609719 0.79 TYRO3 (0.64) KMT2A
SCHEMBL27252896 0.78 NPC1 (0.55) NPC1RAB9ASMN1; SMN2CNR1HPGD
SCHEMBL19102523 0.78 SYK (0.50) NPC1RAB9ANR3C1SMN1; SMN2GAA
SCHEMBL1970134 0.78 SLC6A12 (0.62) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL1014303 0.78 HSD11B1 (0.62)
SCHEMBL21554056 0.77 TYRO3 (0.54) KMT2A
SCHEMBL1012465 0.75 HTT (0.50) SMN1; SMN2KMT2ALMNACNR1ALDH1A1
SCHEMBL5431692 0.75 RAB9A (0.60) NPC1RAB9ASMN1; SMN2GAAKMT2A

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
EP-2271629-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 AstraZeneca AB (SE) 2011-01-12 EP disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 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-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 CYP2S1, HSD11B1, HSD3B1 NPC1 1075/4885RAB9A 1947/4885NR3C1 971/4885

“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.