SCHEMBL7601758

SCHEMBL7601758

CCC(CC)Oc1ccc(NC(=N)c2cccs2)cc1CNCCN1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK9 P50750 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
AURKB Q96GD4 1/20 0.38
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 1/20 0.35
QRFPR Q96P65 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 2/20 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
Hydrochloric Acid SCHEMBL7596860 0.99 CCNT1 (0.37) CCNT1CCNA2CDK2GSK3AGSK3B
SCHEMBL7598675 0.92 CCNT1 (0.40) CCNT1CCNA2CDK2GSK3AGSK3B
Hydrochloric Acid SCHEMBL7600264 0.91 CCNT1 (0.40) CCNT1CCNA2CDK2GSK3AGSK3B
SCHEMBL7601237 0.84 ALDH1A1 (0.37) CYP2D6QRFPRL3MBTL1LMNAHTT
Hydrochloric Acid SCHEMBL7598756 0.83 ALDH1A1 (0.38) CYP2D6QRFPRL3MBTL1LMNAHTT
SCHEMBL7598866 0.83 QRFPR (0.36) QRFPRL3MBTL1LMNAALDH1A1MAPT
Hydrochloric Acid SCHEMBL7597175 0.83 QRFPR (0.35) QRFPRL3MBTL1LMNAALDH1A1MAPT
SCHEMBL7602445 0.82 ALDH1A1 (0.35) QRFPRL3MBTL1LMNAHTTALDH1A1
SCHEMBL7601762 0.81 NOS1 (0.46) QRFPR
Hydrochloric Acid SCHEMBL7609385 0.81 ALDH1A1 (0.37) CYP2D6QRFPRL3MBTL1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2002-09-26 US claimed
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO claimed
US-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2002-09-26 US disclosed
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 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 (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-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase NOS1, NOS2, NOS3 CCNT1 825/4885CCNA2 2239/4885CDK2 1324/4885

“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.