SCHEMBL214581

SCHEMBL214581

Cc1nc(NC(=O)c2[nH]cnc2C(=O)Nc2ccc(OC3CCNCC3)cc2Cl)[nH]c1C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 11/20 0.43
HSP90AB1 P08238 7/20 0.43
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL214471 0.86 KDM1A (0.42) TOP2AHSP90AB1ALDH1A1KMT2AMAPT
Hydrochloric Acid SCHEMBL213799 0.85 KDM1A (0.42) TOP2AHSP90AB1ALDH1A1KMT2AMAPT
SCHEMBL2735370 0.82 KDM4E (0.41) TOP2AHSP90AB1ALDH1A1KMT2AMAPT
SCHEMBL214144 0.81 KMT2A (0.46) TOP2AHSP90AB1ALDH1A1KMT2AMAPT
SCHEMBL2735431 0.81 KMT2A (0.46) TOP2AHSP90AB1ALDH1A1KMT2AMAPT
SCHEMBL216261 0.80 ALDH1A1 (0.41) TOP2AHSP90AB1ALDH1A1KMT2AMAPT
Hydrochloric Acid SCHEMBL216947 0.80 SMN1; SMN2 (0.40) TOP2AHSP90AB1ALDH1A1KMT2AMAPT
SCHEMBL214698 0.79 KMT2A (0.46) TOP2AHSP90AB1ALDH1A1KMT2AMAPT
SCHEMBL2735373 0.78 ALDH1A1 (0.47) TOP2AHSP90AB1ALDH1A1KMT2AMAPT
SCHEMBL216248 0.78 RAB9A (0.41) ALDH1A1KMT2AMAPTKDM4ESMN1; SMN2

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 8 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 disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
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
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 TOP2A 1957/4885HSP90AB1 1319/4885ALDH1A1 4295/4885

“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.