SCHEMBL8537283

SCHEMBL8537283

CN(c1ccccc1)c1nc(Cl)nc(N2CCOCC2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.61
▸ TSHR P16473 2/20 0.61
▸ PKM P14618 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.53
▸ USP2 O75604 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.46
▸ GLA P06280 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MAPK1 P28482 2/20 0.44
▸ NSD2 O96028 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ PIK3CA P42336 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
SCHEMBL20078117 0.81 LMNA (0.46) LMNATSHRPKMALDH1A1NPSR1
SCHEMBL8535478 0.80 SMN1; SMN2 (0.61) LMNATSHRPKMALDH1A1NPSR1
SCHEMBL1444931 0.78 TSHR (0.81) LMNATSHRPKMALDH1A1USP2
SCHEMBL19654590 0.77 LMNA (0.53) LMNATSHRPKMALDH1A1USP2
SCHEMBL8973771 0.76 ALDH1A1 (0.59) TSHRALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL796429 0.76 ALDH1A1 (0.64) TSHRALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL19665253 0.76 LMNA (0.86) LMNATSHRPKMALDH1A1ALOX15
SCHEMBL15613182 0.76 LMNA (1.00) LMNATSHRPKMALDH1A1NPSR1
SCHEMBL947123 0.74 PIK3CB (0.76) PIK3CA
SCHEMBL17767827 0.73 TSHR (0.48) LMNATSHRPKMALDH1A1USP2

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-20170342049-A1 NOVEL 1,3,5 -TRIAZINE BASED PI3K INHIBITORS AS ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-11-30 — — US disclosed
EP-0629622-B1 S-TRIAZINE DERIVATIVE AND REMEDY FOR ESTROGEN-DEPENDENT DISEASES CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 1998-11-11 — — EP disclosed
US-5489591-A INHIBITORS OF AROMATASE; TREATING ENDOMETRIOSIS, BREAST CANCER CYSTIC OVARIES ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1996-02-06 — — US disclosed
EP-0629622-A1 s-TRIAZINE DERIVATIVE AND REMEDY FOR ESTROGEN-DEPENDENT DISEASES CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1994-12-21 — — EP 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-20170342049-A1 NOVEL 1,3,5 -TRIAZINE BASED PI3K INHIBITORS AS ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF PIK3CA, PIK3R5, PIK3CD LMNA 4161/4885TSHR 3113/4885PKM 1137/4885

“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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