SCHEMBL2679986

SCHEMBL2679986

COc1ccc(C(=O)c2cccnc2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
NAPRT Q6XQN6 1/20 0.51
CDK5 Q00535 2/20 0.50
CDK5R1 Q15078 2/20 0.50
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
HTT P42858 5/20 0.48
NPSR1 Q6W5P4 3/20 0.48
ALDH1A1 P00352 2/20 0.48
RXFP1 Q9HBX9 2/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PPARG P37231 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
MAPK14 Q16539 1/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL8569592 0.84 CDK5 (0.53) KMT2ANPC1RAB9ANAPRTCDK5
SCHEMBL7439343 0.82 KMT2A (0.63) KMT2ANPC1RAB9ACDK5CDK5R1
SCHEMBL5213334 0.82 NPC1 (0.48) KMT2ANPC1RAB9ANAPRTCDK5
SCHEMBL9390307 0.82 NPC1 (0.48) KMT2ANPC1RAB9ANAPRTCDK5
SCHEMBL6260691 0.82 RAB9A (0.52) KMT2ANPC1RAB9ACDK5CDK5R1
SCHEMBL2886364 0.81 ALDH1A1 (0.56) KMT2ANPC1RAB9ACYP11B1CYP11B2
SCHEMBL30114893 0.80 NAPRT (0.67) KMT2ANAPRTHTTNPSR1ALDH1A1
SCHEMBL4851229 0.80 NAPRT (0.67) KMT2ANAPRTHTTNPSR1ALDH1A1
SCHEMBL2679689 0.80 NAPRT (0.56) KMT2ANPC1RAB9ANAPRTCDK5
SCHEMBL30893836 0.80 NAPRT (0.56) KMT2ANPC1RAB9ANAPRTMAPT

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-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-05-10 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-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 KMT2A 4603/4885NPC1 115/4885RAB9A 1362/4885

“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.