SCHEMBL10218334

SCHEMBL10218334

CC1CN(C(=O)c2ccc(-c3cnc(N)c(OCc4nc(-c5ccccn5)no4)c3)cc2)CC(C)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 7/20 0.51
▸ SMN1; SMN2 Q16637 8/20 0.44
▸ NPC1 O15118 7/20 0.44
▸ RAB9A P51151 7/20 0.44
▸ TP53 P04637 6/20 0.44
▸ MAPT P10636 6/20 0.44
▸ TSHR P16473 4/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ NFKB1 P19838 3/20 0.44
▸ NFKB2 Q00653 3/20 0.44
▸ RELA Q04206 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ HPGD P15428 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAP4K4 O95819 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42

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
SCHEMBL10218099 0.86 MET (0.46) METNPC1RAB9AMAP4K4ATR
SCHEMBL10217753 0.85 MET (0.51) METSMN1; SMN2NPC1RAB9ATP53
SCHEMBL10218431 0.84 MET (0.55) METMAP4K4
SCHEMBL30453727 0.83 MET (0.55) METMAP4K4ATRMAP4K3
SCHEMBL488598 0.83 MET (0.55) METMAP4K4ATRMAP4K3
SCHEMBL10218403 0.82 MET (0.51) METSMN1; SMN2NPC1RAB9AMAP4K4
SCHEMBL30453566 0.82 MAP4K4 (0.64) METMAP4K4ATRMAP4K3
SCHEMBL488686 0.82 MAP4K4 (0.64) METMAP4K4ATRMAP4K3
SCHEMBL10218397 0.81 MET (0.51) METMAP4K4MAP4K3
SCHEMBL10218305 0.81 MAP4K4 (0.57) METSMN1; SMN2MAPTNPSR1HPGD

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-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 — — US disclosed
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 — — US disclosed
US-7230098-B2 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. (US) 2007-06-12 — — US disclosed
US-7230098-B2 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. (US) 2007-06-12 — — US disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 — — US disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 — — 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-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 MET 1/4885SMN1; SMN2 4186/4885NPC1 3437/4885

“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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