SCHEMBL3580927

SCHEMBL3580927

CC(C)(C)OC(=O)CNc1cc(-n2ncc(C(=O)O)c2N)ncn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 6/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTPN1 P18031 4/20 0.37
CCNT1 O60563 1/20 0.36
HPGD P15428 2/20 0.35
TP53 P04637 1/20 0.35
SLC34A1 Q06495 2/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.33
NR3C1 P04150 1/20 0.33

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
SCHEMBL3598227 0.88 MAPT (0.55) NPC1RAB9AALDH1A1MAPTCYP1A2
SCHEMBL9967386 0.79 NPC1 (0.50) NPC1RAB9AALDH1A1MAPTCYP1A2
SCHEMBL3580930 0.75 NPC1 (0.43) NPC1RAB9AALDH1A1MAPTCYP1A2
SCHEMBL19876859 0.70 CCNT1 (0.44) NPC1MAPTCCNT1
SCHEMBL19890986 0.69 HRH4 (0.46) SMN1; SMN2
SCHEMBL23999563 0.68 HRH4 (0.46) RAB9AALDH1A1SMN1; SMN2
SCHEMBL28485639 0.66 KDM4D (0.53) ALDH1A1MAPTCCNT1
SCHEMBL3598225 0.65 MAPT (0.55) NPC1RAB9AALDH1A1MAPTCYP1A2
SCHEMBL6434747 0.65 CCNT1 (0.41) ALDH1A1CCNT1
SCHEMBL28943666 0.64 NPC1 (0.49) NPC1RAB9AALDH1A1MAPTCYP1A2

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-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 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-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK NPC1 3863/4885RAB9A 1272/4885ALDH1A1 3998/4885

“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.