SCHEMBL14005491

SCHEMBL14005491

CC(C)(C)c1cncc(Nc2ccccc2N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
GAA P10253 5/20 0.50
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
TAS2R14 Q9NYV8 1/20 0.46
TP53 P04637 1/20 0.45
APP P05067 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
SNCA P37840 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
SCHEMBL24988399 0.82 MAPT (0.57) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL14005531 0.82 TAS2R14 (0.49) ALDH1A1RAB9AKMT2ACYP2C9TAS2R14
SCHEMBL14005539 0.81 TAS2R14 (0.43) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL14068594 0.80 MAPT (0.59) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL14005490 0.79 DHFR (0.48) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL14005527 0.79 TAS2R14 (0.47) ALDH1A1SMN1; SMN2LMNATAS2R14ALOX15
SCHEMBL14005498 0.79 TAS2R14 (0.60) TAS2R14MAPK10SIRT2SIRT1SIRT3
SCHEMBL14005526 0.79 SLC22A12 (0.45) MAPTALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL14005512 0.78 TAS2R14 (0.46) ALDH1A1RAB9ACYP2C9TAS2R14HPGD
SCHEMBL14005488 0.78 TAS2R14 (0.43) MAPTGAASMN1; SMN2KDM4EMEN1

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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 MAPT 4382/4885GAA 688/4885ALDH1A1 2573/4885

“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.