SCHEMBL214452

SCHEMBL214452

Cc1cc(N2CCNCC2)ccc1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.42
HDAC3 O15379 7/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
KCNH2 Q12809 2/20 0.41
TP53 P04637 1/20 0.39
TTK P33981 1/20 0.39
ATR Q13535 2/20 0.39
MAPT P10636 2/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CDK6 Q00534 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
NAMPT P43490 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2C P18825 1/20 0.37
DRD4 P21917 1/20 0.37
HTR2A P28223 1/20 0.37

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 SCHEMBL214493 0.99 HTR3A (0.41) HTR3AHDAC3HDAC1HDAC2KCNH2
SCHEMBL214366 0.91 FAAH (0.44) TP53MAPTALDH1A1
SCHEMBL214963 0.91 LMNA (0.41) TP53MAPTLMNAHTR1AADRA2C
SCHEMBL214205 0.88 ALK (0.38) TP53MAPTLMNAHTR1AADRA2C
SCHEMBL215213 0.88 NAMPT (0.39) TP53MAPTNAMPTALDH1A1LMNA
SCHEMBL216123 0.87 PTGDR (0.44) MAPTALDH1A1LMNA
SCHEMBL217226 0.85 MEN1 (0.48) TP53MAPTALDH1A1LMNA
SCHEMBL214714 0.84 MAPT (0.44) TP53ATRMAPTALDH1A1LMNA
SCHEMBL215754 0.83 KDM1A (0.42) TP53MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL213648 0.83 KDM1A (0.42) TP53MAPT

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 6 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
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 HTR3A 2825/4885HDAC3 1986/4885HDAC1 2196/4885

“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.