SCHEMBL17837831

SCHEMBL17837831

CCOC(=O)c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ NPSR1 Q6W5P4 4/20 0.50
▸ GAA P10253 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HPGD P15428 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ TP53 P04637 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ TRPV3 Q8NET8 1/20 0.47
▸ GPR119 Q8TDV5 3/20 0.44
▸ THRB P10828 1/20 0.44
▸ PRMT5 O14744 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL17837770 0.86 GPR119 (0.51) ALDH1A1NPSR1HPGDKDM4ETRPV3
SCHEMBL16931182 0.83 TRPV3 (0.48) ALDH1A1NPSR1GAALMNAMEN1
SCHEMBL2159957 0.83 ALDH1A1 (0.43) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL15985053 0.82 TRPV3 (0.51) ALDH1A1NPSR1HPGDKDM4ETRPV3
SCHEMBL31186042 0.81 TP53 (0.54) ALDH1A1NPSR1GAALMNAMEN1
SCHEMBL439343 0.81 TP53 (0.54) ALDH1A1NPSR1GAALMNAMEN1
SCHEMBL2943907 0.80 TRPV3 (0.52) ALDH1A1NPSR1HPGDKDM4ETRPV3
SCHEMBL17861722 0.80 ALOX15 (0.44) ALDH1A1LMNASMN1; SMN2HPGDKDM4E
SCHEMBL22119681 0.79 HTT (0.49) ALDH1A1NPSR1MEN1KMT2AHPGD
SCHEMBL30087081 0.79 HTT (0.49) ALDH1A1NPSR1MEN1KMT2AHPGD

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
EP-3233829-B1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER (US) 2019-08-14 — — EP disclosed
EP-3233829-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS Pfizer Inc (US) 2017-10-25 — — EP disclosed
US-9593097-B2 Axl inhibitors PFIZER INC. (US) 2017-03-14 — — US disclosed
US-9593097-B2 Axl inhibitors PFIZER INC. (US) 2017-03-14 — — US disclosed
WO-2016097918-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER INC. (US) 2016-06-23 — — WO disclosed
WO-2016097918-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER INC. (US) 2016-06-23 — — WO disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 — — US disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 — — 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-20160176850-A1 AXL INHIBITORS AXL, FLT3, MERTK ALDH1A1 4703/4885NPSR1 1143/4885GAA 936/4885

“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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