SCHEMBL20249273

SCHEMBL20249273

CC(C)(C)c1ccc(CC(=O)N2CCNCC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 3/20 0.45
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ECE2 P0DPD6 1/20 0.40
GRIN2B Q13224 1/20 0.39
CDK4 P11802 1/20 0.39
PKM P14618 1/20 0.39
CCR9 P51686 2/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL20249346 0.83 PANK3 (0.37) PANK3SMN1; SMN2KDM4ECDK4CCR9
SCHEMBL20249329 0.83 HRH3 (0.46) PANK3SMN1; SMN2KDM4E
SCHEMBL20249321 0.82 KCNJ1 (0.44) PANK3SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL20037975 0.82 SMN1; SMN2 (0.44) PANK3HPGDSMN1; SMN2TPSAB1TPSD1
SCHEMBL20037650 0.81 TPSAB1 (0.60) HPGDSMN1; SMN2TPSAB1TPSD1TPSG1
SCHEMBL20038207 0.79 TPSAB1 (0.43) PANK3HPGDSMN1; SMN2TPSAB1TPSD1
SCHEMBL22800968 0.79 HPGD (0.61) PANK3HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL18291651 0.78 PANK3 (0.61) PANK3HPGDSMN1; SMN2TPSAB1TPSD1
SCHEMBL20249215 0.78 HPGD (0.61) HPGDSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL20224126 0.77 CXCR4 (0.49) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 PANK3 492/4885HPGD 1213/4885SMN1; SMN2 1690/4885

“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.