SCHEMBL2199382

SCHEMBL2199382

N=C(N)c1cc(Cl)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
IDO1 P14902 3/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
HTR3E A5X5Y0 2/20 0.37
HTR3B O95264 2/20 0.37
HTR3A P46098 2/20 0.37
HTR3D Q70Z44 2/20 0.37
HTR3C Q8WXA8 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
Hydrochloric Acid SCHEMBL14486951 0.83 LMNA (0.47) LMNAKDM4EIDO1HTTF2
SCHEMBL4426660 0.80 CES2 (0.56) ALDH1A1IDO1F10TAS1R3TAS1R1
SCHEMBL8861494 0.80 ALDH1A1 (0.54) LMNAALDH1A1KDM4EGLAGAA
SCHEMBL20054762 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EGLAGAATP53
Hydrochloric Acid SCHEMBL1367092 0.78 CES2 (0.54) LMNAALDH1A1IDO1
SCHEMBL5742419 0.78 CA1 (0.55) LMNAALDH1A1IDO1HTTTP53
SCHEMBL2667939 0.78 SMN1; SMN2 (0.50) LMNAALDH1A1IDO1TP53HPGD
SCHEMBL910922 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EGLAGAATP53
SCHEMBL30564933 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EGLAGAATP53
SCHEMBL18712125 0.78 MEN1 (0.38) ALDH1A1KDM4EGLAGAATP53

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200171030-A1 DUAL INHIBITORS OF ALK5 AND P38A MAP KINASE INTEGRAL BIOSCIENCES PRIVATE LTD (IN) 2020-06-04 US disclosed
WO-2019142128-A1 DUAL INHIBITORS OF ALK5 AND P38Α MAP KINASE INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2019-07-25 WO disclosed
US-9987277-B2 Carboxamide 4-[(4-pyridyl)amino] pryimidines for the treatment of hepatitis C JANSSEN SCIENCES IRELAND UC (IE) 2018-06-05 US disclosed
US-9987277-B2 Carboxamide 4-[(4-pyridyl)amino] pryimidines for the treatment of hepatitis C JANSSEN SCIENCES IRELAND UC (IE) 2018-06-05 US disclosed
US-9987277-B2 Carboxamide 4-[(4-pyridyl)amino] pryimidines for the treatment of hepatitis C JANSSEN SCIENCES IRELAND UC (IE) 2018-06-05 US disclosed
EP-2097084-B1 CARBOXAMIDE 4-[(4-PYRIDYL)AMINO] PYRIMIDINES FOR THE TREATMENT OF HEPATITIS C JANSSEN R & D IRELAND (IE) 2015-01-28 EP disclosed
EP-2097084-B1 CARBOXAMIDE 4-[(4-PYRIDYL)AMINO] PYRIMIDINES FOR THE TREATMENT OF HEPATITIS C JANSSEN R & D IRELAND (IE) 2015-01-28 EP disclosed
US-8030318-B2 e.g. 4-[2-(5-Chloro-2-fluoro-phenyl)-7-(2-dimethylamino-ethylamino)-pyrido-[2,3-d]pyrimidin-4-ylamino]-nicotinic acid; viricide; transforming growth factor-beta inhibitor; hepatitis C infection; fibroproliferative conditions: fibrosis, glomerulonephritis, diabetic nephropathy, and certain cancers TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-10-04 US disclosed
US-8030318-B2 e.g. 4-[2-(5-Chloro-2-fluoro-phenyl)-7-(2-dimethylamino-ethylamino)-pyrido-[2,3-d]pyrimidin-4-ylamino]-nicotinic acid; viricide; transforming growth factor-beta inhibitor; hepatitis C infection; fibroproliferative conditions: fibrosis, glomerulonephritis, diabetic nephropathy, and certain cancers TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-10-04 US disclosed
US-8030318-B2 e.g. 4-[2-(5-Chloro-2-fluoro-phenyl)-7-(2-dimethylamino-ethylamino)-pyrido-[2,3-d]pyrimidin-4-ylamino]-nicotinic acid; viricide; transforming growth factor-beta inhibitor; hepatitis C infection; fibroproliferative conditions: fibrosis, glomerulonephritis, diabetic nephropathy, and certain cancers TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-10-04 US disclosed
WO-2006035061-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-04-06 WO disclosed
EP-1608631-A2 BI-CYCLIC PYRIMIDINE INHIBITORS OF TGF BETA SCIOS INC. (US) 2005-12-28 EP disclosed
US-20050176957-A1 Process for the preparation of pyridopyrimidones SCIOS INC. 2005-08-11 US disclosed
WO-2005065416-A2 PROCESS FOR THE PREPARATION OF PYRIDOPYRIMIDONES SCIOS INC. (US) 2005-07-21 WO disclosed
EP-1549316-A1 INHIBITORS OF TFG&bgr; SCIOS INC. (US) 2005-07-06 EP disclosed
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta SCIOS, INC. 2005-01-06 US disclosed
WO-2004087056-A2 BI-CYCLIC PYRIMIDINE INHIBITORS OF TGFβ SCIOS INC. (US) 2004-10-14 WO disclosed
US-20040132730-A1 Inhibitors of TGFbeta SCIOS, INC. 2004-07-08 US disclosed
WO-2004024159-A1 INHIBITORS OF TFGβ SCIOS INC. (US) 2004-03-25 WO disclosed
WO-2004024159-A1 INHIBITORS OF TFGβ SCIOS INC. (US) 2004-03-25 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-20200171030-A1 DUAL INHIBITORS OF ALK5 AND P38A MAP KINASE MAP2K2, MAP2K5, MAP2K1 LMNA 1589/4885ALDH1A1 646/4885KDM4E 1807/4885
US-20050176957-A1 Process for the preparation of pyridopyrimidones PDXK, PNPO, AGPS LMNA 838/4885ALDH1A1 1829/4885KDM4E 2063/4885
US-20040132730-A1 Inhibitors of TGFbeta TGFBR1, TGFBR2, TGFB1 LMNA 3045/4885ALDH1A1 2530/4885KDM4E 2670/4885
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta TYMP, TYMS, TGFBR1 LMNA 2007/4885ALDH1A1 2042/4885KDM4E 2202/4885

“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.