SCHEMBL11029424

SCHEMBL11029424

Cc1ccc(NC(=O)n2cc[c]n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
TDP1 Q9NUW8 1/20 0.44
NAMPT P43490 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
BCHE P06276 1/20 0.41
CNR1 P21554 2/20 0.41
TSHR P16473 1/20 0.40
KIF11 P52732 1/20 0.40

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
SCHEMBL7364824 0.86 TAS1R3 (0.45) RAB9ANPC1TDP1TAS1R3TAS1R1
SCHEMBL11032892 0.84 MAPT (0.54) RAB9ANPC1TAS1R3TAS1R1TAS1R2
SCHEMBL11027629 0.82 ALDH1A1 (0.52) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL752964 0.81 NAMPT (0.48) RAB9ANAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL11032471 0.76 NPC1 (0.49) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL760516 0.70 RAB9A (0.49) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL6037514 0.69 ALDH1A1 (0.57) RAB9ANPC1TDP1NAMPTTAS1R3
SCHEMBL755622 0.69 NPC1 (0.44) RAB9ANPC1TAS1R3TAS1R1TAS1R2
SCHEMBL752990 0.69 MAPT (0.54) TDP1KMT2APOLBTP53TSHR
SCHEMBL752278 0.68 MEN1 (0.49) RAB9ANPC1SMN1; SMN2KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP claimed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US claimed
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP disclosed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD RAB9A 677/4885NPC1 732/4885TDP1 1504/4885

“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.