SCHEMBL216182

SCHEMBL216182

NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(=O)Nc1ccc(OCCCN2CCNCC2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.41
DRD2 P14416 7/20 0.41
SIRT1 Q96EB6 1/20 0.40
ITGB3 P05106 4/20 0.40
ITGA2B P08514 4/20 0.40
CHEK2 O96017 1/20 0.38
AVPR1B P47901 1/20 0.37
LTA4H P09960 1/20 0.37
LCK P06239 1/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
PARP1 P09874 1/20 0.36
MAPT P10636 1/20 0.36

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 SCHEMBL215262 0.99 ITGB3 (0.41) DRD3DRD2SIRT1ITGB3ITGA2B
SCHEMBL214557 0.88 LCK (0.40) DRD3DRD2SIRT1LCKMAPT
SCHEMBL214470 0.85 KDM1A (0.44) CHEK2MAPT
Hydrochloric Acid SCHEMBL213798 0.85 KDM1A (0.43) CHEK2MAPT
SCHEMBL216428 0.84 ITGB3 (0.38) DRD3DRD2SIRT1ITGB3ITGA2B
SCHEMBL214093 0.84 DRD3 (0.40) DRD3DRD2CHEK2PARP1MAPT
Hydrochloric Acid SCHEMBL214532 0.84 ITGB3 (0.39) DRD3DRD2SIRT1ITGB3ITGA2B
SCHEMBL213323 0.83 LTA4H (0.46) LTA4H
SCHEMBL216247 0.83 CHEK2 (0.43) CHEK2MAPT
SCHEMBL216121 0.81 KDM4E (0.38) DRD2ITGB3ITGA2BCHEK2AVPR1B

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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 DRD3 4551/4885DRD2 3081/4885SIRT1 4299/4885

“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.