SCHEMBL871137

SCHEMBL871137

c1ccc(Cc2nncc3ccccc23)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
CYP19A1 P11511 1/20 0.46
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ADRB2 P07550 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
SMN1; SMN2 Q16637 7/20 0.40
KDM4E B2RXH2 3/20 0.40
TP53 P04637 3/20 0.40
CYP3A4 P08684 2/20 0.40
GOT1 P17174 2/20 0.40
MAOA P21397 2/20 0.40
LMNA P02545 1/20 0.40
MPO P05164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 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
Succinic Acid SCHEMBL27650673 0.89 SMN1; SMN2 (0.44) TSHRCYP19A1NPC1RAB9AKMT2A
SCHEMBL7069713 0.76 CYP19A1 (0.61) CYP19A1NPC1RAB9AKMT2AALDH1A1
SCHEMBL31738482 0.76 CYP19A1 (0.61) CYP19A1NPC1RAB9AKMT2AALDH1A1
SCHEMBL29481851 0.75 CYP19A1 (0.53) CYP19A1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL871138 0.75 CYP19A1 (0.53) CYP19A1NPC1RAB9AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6061889 0.74 CYP19A1 (0.52) CYP19A1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9807642 0.73 CYP19A1 (0.54) CYP19A1NPC1RAB9AGAAKMT2A
SCHEMBL7664932 0.72 TSHR (0.51) TSHRNPC1RAB9AALDH1A1HRH3
SCHEMBL8372463 0.72 LMNA (0.47) CYP19A1NPC1RAB9AGAAKMT2A
SCHEMBL19952861 0.72 LMNA (0.52) CYP19A1NPC1RAB9AGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286795-A1 USE OF VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR INHIBITORS FOR THE TREATMENT OF CANCER LITTLEWOOD-EVANS AMANDA J 2009-11-19 US claimed
US-20090239872-A1 TREATMENT OF MESOTHELIOMA HOHNEKER JOHN ARTHUR 2009-09-24 US claimed
US-20090233939-A1 TREATMENT OF AMM GILES FRANK 2009-09-17 US claimed
US-20090196871-A1 USE OF 4-PYRIDYLMETHYLPHTHALAZINES FOR CANCER TREATMENT DUGAN MARGARET HAN 2009-08-06 US claimed
CN-101460171-A Use of vascular endothelial growth factor receptor inhibitors for the treatment of cancer NOVARTIS AG (CH) 2009-06-17 CN claimed
EP-2029144-A1 USE OF VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR INHIBITORS FOR THE TREATMENT OF CANCER Novartis AG (CH) 2009-03-04 EP claimed
EP-1712234-B1 Use of 4-Pyridylmethylphthalazines for Renal Cancer Treatment NOVARTIS AG (CH) 2009-01-28 EP claimed
US-20080306058-A1 Combinations Comprising a Vegf Receptor Inhibitor NOVARTIS AG 2008-12-11 US claimed
EP-1945217-A2 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER Novartis AG (CH) 2008-07-23 EP claimed
WO-2007140924-A1 USE OF VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR INHIBITORS FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2007-12-13 WO claimed
EP-1545534-A1 USE OF 4-PYRIDYLMETHYL-PHTHALAZINE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF MYELODYSPLASTIC SYNDROMES Novartis AG (CH) 2005-06-29 EP claimed
JP-2005502690-A 2005-01-27 JP claimed
US-20040258770-A1 Use of 4-pyridylmethylphthalazines for cancer treatment DUGAN MARGARET HAN (US) 2004-12-23 US claimed
CN-1553803-A Use of 4-pyridylmethylphthalazines for the treatment of cancer ��˹��ŵ�� 2004-12-08 CN claimed
WO-2004056367-A1 TREATMENT OF VON HIPPEL LINDAU DISEASE DANA-FARBER CANCER INSTITUTE INC. (US) 2004-07-08 WO claimed
EP-1427420-A1 USE OF 4-PYRIDYLMETHYLPHTHALAZINES FOR CANCER TREATMENT Novartis AG (CH) 2004-06-16 EP claimed
WO-2004043459-A1 TREATMENT OF MESOTHELIOMA NOVARTIS AG (CH) 2004-05-27 WO claimed
WO-2004033042-A1 TREATMENT OF AMM NOVARTIS AG (CH) 2004-04-22 WO claimed
WO-2004028542-A1 USE OF 4-PYRIDYLMETHYL-PHTHALAZINE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF MYELODYSPLASTIC SYNDROMES NOVARTIS AG (CH) 2004-04-08 WO claimed
WO-2003022282-A1 USE OF 4-PYRIDYLMETHYLPHTHALAZINES FOR CANCER TREATMENT NOVARTIS AG (CH) 2003-03-20 WO claimed

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-20080306058-A1 Combinations Comprising a Vegf Receptor Inhibitor KDR, FLT4, FLT1 TSHR 952/4885CYP19A1 634/4885NPC1 1208/4885
US-20090239872-A1 TREATMENT OF MESOTHELIOMA CD47, MB, MGMT TSHR 3218/4885CYP19A1 4290/4885NPC1 4839/4885
US-20090233939-A1 TREATMENT OF AMM MYADM, NPM1, SLC11A2 TSHR 2644/4885CYP19A1 1317/4885NPC1 4458/4885
US-20090286795-A1 USE OF VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR INHIBITORS FOR THE TREATMENT OF CANCER LDHA, LDHB, KDR TSHR 1994/4885CYP19A1 3566/4885NPC1 4214/4885

“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.