Sugi Predict

Sugi Predict / Compounds / SCHEMBL2726482

SCHEMBL2726482

SCHEMBL2726482

Clc1nc(N2CCOCC2)c2cccc(Br)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.50
▸ KDM4E B2RXH2 5/20 0.48
▸ MAPT P10636 3/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ HPGD P15428 3/20 0.45
▸ GLA P06280 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ PIK3CA P42336 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.42
▸ AURKA O14965 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ HTT P42858 3/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ USP2 O75604 1/20 0.40

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
SCHEMBL9404476 0.86 KDM4E (0.50) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL24712657 0.80 SMN1; SMN2 (0.41) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL24711986 0.80 SMN1; SMN2 (0.44) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL9404282 0.78 POLB (0.50) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL4095134 0.77 KDM4E (0.69) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL2725738 0.75 PIK3CA (0.54) PIK3CACLK4
SCHEMBL7930954 0.75 SMN1; SMN2 (0.49) KDM4EMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL16166982 0.74 SMN1; SMN2 (0.48) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL2725946 0.74 PIK3CA (0.49) PIK3CAAURKARPS6KB1
SCHEMBL16094600 0.73 PIK3CA (0.60) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115092-B2 Substituted quinazoline and pyrido-pyrimidine derivatives ASANA BIOSCIENCES, LLC (US) 2015-08-25 — — US disclosed
US-9115092-B2 Substituted quinazoline and pyrido-pyrimidine derivatives ASANA BIOSCIENCES, LLC (US) 2015-08-25 — — US disclosed
US-9115092-B2 Substituted quinazoline and pyrido-pyrimidine derivatives ASANA BIOSCIENCES, LLC (US) 2015-08-25 — — US disclosed
US-20150011547-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ASANA BIOSCIENCES, LLC (US) 2015-01-08 — — US disclosed
US-20150011547-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ASANA BIOSCIENCES, LLC (US) 2015-01-08 — — US disclosed
US-20150011547-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ASANA BIOSCIENCES, LLC (US) 2015-01-08 — — US disclosed
US-20140073782-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2014-03-13 — — US disclosed
US-20140073782-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2014-03-13 — — US disclosed
US-20140073782-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2014-03-13 — — US disclosed
US-20130190492-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2013-07-25 — — US disclosed
US-20130190492-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2013-07-25 — — US disclosed
US-20130190492-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2013-07-25 — — US disclosed
US-8440662-B2 Substituted quinazoline and pyrido-pyrimidine derivatives ENDO PHARMACEUTICALS, INC. (US) 2013-05-14 — — US disclosed
US-8440662-B2 Substituted quinazoline and pyrido-pyrimidine derivatives ENDO PHARMACEUTICALS, INC. (US) 2013-05-14 — — US disclosed
US-8440662-B2 Substituted quinazoline and pyrido-pyrimidine derivatives ENDO PHARMACEUTICALS, INC. (US) 2013-05-14 — — US disclosed
US-20120129851-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2012-05-24 — — US disclosed
US-20120129851-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2012-05-24 — — US disclosed
US-20120129851-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2012-05-24 — — US disclosed
WO-2012058671-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2012-05-03 — — WO disclosed
WO-2012058671-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2012-05-03 — — WO 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 (4 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-20140073782-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives MTOR, PIK3CA, PDPK1 HRH4 1423/4885KDM4E 739/4885MAPT 3544/4885
US-20130190492-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES MTOR, PIK3CA, PDPK1 HRH4 1423/4885KDM4E 739/4885MAPT 3544/4885
US-20150011547-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES MTOR, PIK3CA, PDPK1 HRH4 1423/4885KDM4E 739/4885MAPT 3544/4885
US-20120129851-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives MTOR, PIK3CA, PDPK1 HRH4 1423/4885KDM4E 739/4885MAPT 3544/4885

“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.