SCHEMBL17708306

SCHEMBL17708306

C[C@H](O)C(=O)N1CCN(C)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HSD17B10 Q99714 1/20 0.47
HTR1A P08908 1/20 0.47
NPC1 O15118 1/20 0.46
CHRM1 P11229 3/20 0.42
TP53 P04637 1/20 0.42
CHRM3 P20309 2/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 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
SCHEMBL7904346 1.00 CYP1A2 (0.52) CYP1A2TDP1HSD17B10HTR1ANPC1
SCHEMBL17708305 1.00 CYP1A2 (0.52) CYP1A2TDP1HSD17B10HTR1ANPC1
SCHEMBL16906761 0.92 HTT (0.50) CYP1A2TDP1HSD17B10HTR1ANPC1
SCHEMBL13324885 0.90 MEN1 (0.41) CYP1A2TDP1HSD17B10HTR1ANPC1
SCHEMBL188546 0.83 CYP1A2 (0.54) CYP1A2TDP1HSD17B10HTR1ANPC1
SCHEMBL18389800 0.82 CYP1A2 (0.48) CYP1A2TDP1HSD17B10HTR1ANPC1
SCHEMBL3288873 0.80 MMP1 (0.44) TP53ALDH1A1HPGDHTT
SCHEMBL3298525 0.80 MMP1 (0.44) TP53ALDH1A1HPGDHTT
SCHEMBL1417346 0.80 MMP1 (0.44) TP53ALDH1A1HPGDHTT
SCHEMBL24302109 0.79 CYP1A2 (0.50) CYP1A2TDP1HSD17B10HTR1ANPC1

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-9440981-B2 Pyrrolo[2, 1-F] [1,2,4]triazine derivative and use thereof for treating tumors PHARMABLOCK (NANJING) R&D CO. LTD (CN) 2016-09-13 US disclosed
US-9440981-B2 Pyrrolo[2, 1-F] [1,2,4]triazine derivative and use thereof for treating tumors PHARMABLOCK (NANJING) R&D CO. LTD (CN) 2016-09-13 US disclosed
US-20160115166-A1 PYRROLO[2, 1-F] [1,2,4]TRIAZINE DERIVATIVE AND USE THEREOF FOR TREATING TUMORS PHARMABLOCK (NANJING) R&D CO. LTD. (CN) 2016-04-28 US disclosed
US-20160115166-A1 PYRROLO[2, 1-F] [1,2,4]TRIAZINE DERIVATIVE AND USE THEREOF FOR TREATING TUMORS PHARMABLOCK (NANJING) R&D CO. LTD. (CN) 2016-04-28 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-20160115166-A1 PYRROLO[2, 1-F] [1,2,4]TRIAZINE DERIVATIVE AND USE THEREOF FOR TREATING TUMORS GLS2, GTF2F1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP1A2 249/4885TDP1 2255/4885HSD17B10 1002/4885

“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.