SCHEMBL214143

SCHEMBL214143

Cc1cc(OC2CCNCC2)ccc1NC(=O)c1c(C(N)=O)ncn1-c1nc2ccccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 8/20 0.42
▸ IGF1R P08069 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HSP90AB1 P08238 2/20 0.37
▸ TOP2A P11388 2/20 0.37
▸ MAOA P21397 1/20 0.37
▸ RCOR1 Q9UKL0 2/20 0.37
▸ PLK1 P53350 1/20 0.37
▸ PLK3 Q9H4B4 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ WNT1 P04628 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL215754 0.95 KDM1A (0.42) KDM1AIGF1RCHEK2TP53MAPT
SCHEMBL214697 0.94 KDM1A (0.42) KDM1ACHEK2TP53MAPTMAOA
Hydrochloric Acid SCHEMBL213648 0.94 KDM1A (0.42) KDM1AIGF1RCHEK2TP53MAPT
SCHEMBL214470 0.92 KDM1A (0.44) KDM1ACHEK2MAPTHSP90AB1TOP2A
Hydrochloric Acid SCHEMBL213798 0.91 KDM1A (0.43) KDM1ACHEK2MAPTHSP90AB1TOP2A
SCHEMBL216140 0.85 CHEK2 (0.41) KDM1ACHEK2TP53MAPTHSP90AB1
Hydrochloric Acid SCHEMBL215452 0.84 TOP2A (0.40) KDM1ACHEK2TP53HSP90AB1TOP2A
SCHEMBL217126 0.84 MAPT (0.41) KDM1ACHEK2TP53MAPTRCOR1
SCHEMBL216247 0.84 CHEK2 (0.43) KDM1AIGF1RCHEK2MAPTPLK1
SCHEMBL213393 0.83 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1NPSR1LMNA

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 KDM1A 963/4885IGF1R 1340/4885CHEK2 412/4885

“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.

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