SCHEMBL6273375

SCHEMBL6273375

Clc1ccccc1Sc1ncnc2[nH]ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 6/20 0.52
TTBK2 Q6IQ55 6/20 0.52
CDC7 O00311 2/20 0.52
DBF4 Q9UBU7 2/20 0.52
RHEB Q15382 1/20 0.50
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
NOTUM Q6P988 1/20 0.46
JAK2 O60674 1/20 0.45
AXL P30530 1/20 0.42
PRKCI P41743 1/20 0.42
TRPA1 O75762 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AKT2 P31751 2/20 0.40
PKM P14618 1/20 0.40
EGFR P00533 1/20 0.39

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
SCHEMBL191691 0.78 CDC7 (0.61) TTBK1TTBK2CDC7DBF4MAPT
SCHEMBL6424878 0.77 MAPT (0.46) TTBK1TTBK2CDC7DBF4RHEB
SCHEMBL13885309 0.71 JAK2 (0.61) TTBK1TTBK2JAK2AXLPRKCI
SCHEMBL6661474 0.70 TRPA1 (0.52) TTBK1TTBK2CDC7DBF4NOTUM
SCHEMBL26784728 0.70 TTBK1 (0.49) TTBK1TTBK2CDC7DBF4MAPT
SCHEMBL192920 0.69 CDC7 (1.00) TTBK1TTBK2CDC7DBF4MAPT
SCHEMBL102201 0.68 TTBK1 (0.54) TTBK1TTBK2JAK2AXLPRKCI
SCHEMBL6260636 0.68 TRPA1 (0.64) TTBK1TTBK2RHEBJAK2AXL
SCHEMBL23702468 0.67 RHEB (1.00) RHEBMAPT
SCHEMBL17954541 0.67 CDC7 (0.63) TTBK1TTBK2CDC7DBF4NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239806-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases AMBIT BIOSCIENCES CORPORATION 2005-10-27 US disclosed
WO-2005069865-A2 PYRROLOPYRIMIDINE DERIVATIVES AND ANALOGS AND THEIR USE IN THE TREATMENT AND PREVENTION OF DISEASES AMBIT BIOSCIENCES CORPORATION (US) 2005-08-04 WO disclosed
US-20050165029-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases AMBIT BIOSCIENCES CORPORATION 2005-07-28 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 (2 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-20050165029-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases PRKDC, PRKCA, PRKACA TTBK1 356/4885TTBK2 391/4885CDC7 318/4885
US-20050239806-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases PRKDC, PRKCA, PRKACA TTBK1 356/4885TTBK2 391/4885CDC7 318/4885

“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.