SCHEMBL752958

SCHEMBL752958

CSc1cc(-n2nc(C)cc2N)nc(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 3/20 0.47
POLB P06746 2/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPK1 P28482 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.38
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34

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
SCHEMBL11026681 0.80 ALDH1A1 (0.34) SMN1; SMN2RAB9ACYP1A2CYP2C19CYP2C9
SCHEMBL11892542 0.79 TSHR (0.37) SMN1; SMN2CYP1A2CYP2C19MAPK1CYP2C9
SCHEMBL3586698 0.78 POLB (0.44) SMN1; SMN2RAB9APOLBCYP1A2CYP2C19
SCHEMBL751727 0.77 POLB (0.38) POLB
SCHEMBL751945 0.76 KMT2A (0.38) RAB9APOLBCYP1A2MAPK1ALDH1A1
SCHEMBL6340017 0.70 CYP1A2 (0.56) SMN1; SMN2RAB9APOLBCYP1A2CYP2C19
SCHEMBL750585 0.69 MAPT (0.46) RAB9APOLBCYP1A2CYP2C19CYP2C9
SCHEMBL754656 0.68 NPC1 (0.42) SMN1; SMN2RAB9APOLBCYP1A2CYP2C19
SCHEMBL12998798 0.68 POLB (0.59) SMN1; SMN2RAB9APOLBCYP1A2CYP2C19
SCHEMBL15689263 0.68 HSP90AB1 (0.40) RAB9APOLBCYP1A2CYP2C19CYP2C9

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
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP disclosed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO 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 SMN1; SMN2 3999/4885RAB9A 677/4885POLB 1182/4885

“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.