SCHEMBL4535474

SCHEMBL4535474

Nc1ccc(-c2cc(N3CCOCC3)ncn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
NPC1 O15118 1/20 0.52
RECQL P46063 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LRRK2 Q5S007 11/20 0.50
JAK2 O60674 1/20 0.50
JAK3 P52333 1/20 0.50
HRH4 Q9H3N8 1/20 0.50
MAPT P10636 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49
PIK3R1 P27986 1/20 0.49
PIK3CA P42336 1/20 0.49
MTOR P42345 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL4934505 0.85 TSHR (0.52) TSHRNPC1RECQLRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL11787337 0.84 NPC1 (0.70) TSHRNPC1RECQLRAB9ASMN1; SMN2
SCHEMBL3992761 0.81 KMO (0.60) TSHRNPC1RECQLRAB9ASMN1; SMN2
SCHEMBL22838764 0.78 ADK (0.55) NPC1RAB9ASMN1; SMN2JAK2JAK3
SCHEMBL31110333 0.77 CYP2C19 (0.68) NPC1RAB9ASMN1; SMN2LRRK2KDM4E
SCHEMBL807666 0.76 CYP2C19 (0.58) NPC1SMN1; SMN2LRRK2JAK2JAK3
SCHEMBL3719793 0.75 MAPT (0.84) TSHRSMN1; SMN2MAPTHSD17B10KDM4E
SCHEMBL19933675 0.73 ASIC3 (0.54) TSHRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL29652329 0.71 PIK3CA (0.54) LRRK2JAK2JAK3PIK3R1PIK3CA
SCHEMBL5169618 0.71 SMN1; SMN2 (0.56) TSHRNPC1RECQLRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325954-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-12-31 US disclosed
CN-101535296-A 2-benzimidazolyl-6-morpholino-4-phenylpyrimidine derivatives as pi3k and mtor inhibitors for the treatment of proliferative disorders ASTRAZENECA AB (SE) 2009-09-16 CN disclosed
US-20080051401-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PASS MARTIN 2008-02-28 US disclosed
CN-101010317-A 2, 4,6-trisubstituted pyrimidines as phosphotidylinositol (pi) 3-kinase inhibitors and their use in the treatment of cancer ASTRAZENECA AB (SE) 2007-08-01 CN disclosed
EP-1778681-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2007-05-02 EP disclosed
WO-2006005918-A1 2, 4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2006-01-19 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 (2 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-20090325954-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS PIK3CA, MTOR, PIK3CD TSHR 3360/4885NPC1 3180/4885RECQL 141/4885
US-20080051401-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PIK3CA, TYMP, PIK3CB TSHR 2717/4885NPC1 4115/4885RECQL 91/4885

“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.