SCHEMBL3472148

SCHEMBL3472148

O=c1[nH]cnc2c1[nH]c1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.54
CDK4 P11802 1/20 0.54
SRC P12931 1/20 0.54
CCND1 P24385 1/20 0.54
ALDH1A1 P00352 4/20 0.53
THRB P10828 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PARP1 P09874 7/20 0.51
KDM4E B2RXH2 4/20 0.50
HPGD P15428 2/20 0.50
LIMK1 P53667 1/20 0.50
PRNP P04156 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRG2 P18507 1/20 0.50

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
SCHEMBL31272247 0.86 PARP1 (0.56) CHEK1CDK4SRCCCND1ALDH1A1
SCHEMBL9204198 0.86 PARP1 (0.56) CHEK1CDK4SRCCCND1ALDH1A1
SCHEMBL3472838 0.81 CHEK1 (0.48) CHEK1CDK4SRCCCND1ALDH1A1
SCHEMBL1286636 0.79 PARP1 (0.56) CHEK1CDK4SRCCCND1ALDH1A1
SCHEMBL30577447 0.79 PARP1 (0.56) CHEK1CDK4SRCCCND1ALDH1A1
SCHEMBL3473510 0.79 CHEK1 (0.46) CHEK1CDK4SRCCCND1ALDH1A1
SCHEMBL1848649 0.78 PARP1 (0.53) CDK4CCND1PARP1KDM4EGABRA1
SCHEMBL6826793 0.78 PARP1 (0.50) CHEK1CDK4SRCCCND1ALDH1A1
SCHEMBL17396507 0.78 RXFP1 (0.55) CHEK1ALDH1A1PARP1KDM4EHPGD
SCHEMBL38652511 0.78 PARP1 (0.50) CHEK1CDK4SRCCCND1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193430-B2 Methods for separating carbon nanotubes THE UNIVERSITY OF CONNECTICUT (US) 2012-06-05 US disclosed
US-20100044230-A1 METHODS FOR SEPARATING CARBON NANOTUBES UNIVERSITY OF CONNECTICUT (US) 2010-02-25 US disclosed
WO-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed
US-20050187389-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases AMBIT BIOSCIENCES CORPORATION 2005-08-25 US disclosed
WO-2005067546-A2 PYRROLOPYRIMIDINE DERIVATIVES AND ANALOGS AND THEIR USE IN THE TREATMENT AND PREVENTION OF DISEASES AMBIT BIOSCIENCES CORPORATION (US) 2005-07-28 WO disclosed
US-20050153989-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases AMBIT BIOSCIENCES CORPORATION 2005-07-14 US disclosed
WO-2004111052-A1 PYRROLOPYRIMIDINE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE (MDR) XENOVA LIMITED (GB) 2004-12-23 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 (3 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-20100044230-A1 METHODS FOR SEPARATING CARBON NANOTUBES FSCN1, TTPA, FLNB CHEK1 2918/4885CDK4 3362/4885SRC 4289/4885
US-20050187389-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases PRKDC, PRKCA, PRKACA CHEK1 210/4885CDK4 266/4885SRC 413/4885
US-20050153989-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases PRKDC, PRKCA, PRKACA CHEK1 210/4885CDK4 266/4885SRC 413/4885

“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.