SCHEMBL3603419

SCHEMBL3603419

O=c1ccnc2c3ccccc3ccn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 9/20 0.52
MTOR P42345 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
PARP1 P09874 1/20 0.47
GRM5 P41594 1/20 0.41
MAPT P10636 4/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
HCRTR1 O43613 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
COMT P21964 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
CYP2A6 P11509 1/20 0.39
F12 P00748 1/20 0.39
PLAU P00749 1/20 0.39
NCF1 P14598 1/20 0.39
NOS3 P29474 1/20 0.39

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 SCHEMBL5122442 0.98 PRKDC (0.51) PRKDCMTORADORA3PARP1GRM5
SCHEMBL3539918 0.73 PRKDC (0.61) PRKDCMTORPARP1MAPTRAB9A
SCHEMBL11924607 0.73 PRKDC (0.61) PRKDCMTORPARP1MAPTRAB9A
SCHEMBL8167826 0.73 PRKDC (0.61) PRKDCMTORPARP1MAPTRAB9A
SCHEMBL10969790 0.72 KDM4E (0.57) ADORA3MAPTRAB9ASMN1; SMN2MAPK1
SCHEMBL30050610 0.72 IDO1 (0.41) PRKDCMTORADORA3PARP1MAPT
SCHEMBL877668 0.72 IDO1 (0.41) PRKDCMTORADORA3PARP1MAPT
SCHEMBL12145470 0.71 CYP3A4 (0.44) PRKDCMTORPARP1MAPTRAB9A
SCHEMBL1839402 0.71 PRKDC (0.54) PRKDCMTORPARP1MAPTALDH1A1
SCHEMBL1104807 0.71 IDO1 (0.46) PRKDCPARP1MAPTRAB9ASMN1; 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674823-B2 DNA-PK inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-03-09 US disclosed
EP-2138495-A1 Substituted pyrimido[2,1-a]isoquinolin-4-one derivatives sanofi-aventis (FR) 2009-12-30 EP disclosed
US-7226918-B2 DNA-PK inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-06-05 US disclosed
US-20040192687-A1 Dna-pk inhibitors CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2004-09-30 US disclosed
EP-0166439-B1 4H-pyrimido[2,1-a]isoquinolin-4-one derivatives G.D. Searle & Co. (US) 1990-05-09 EP disclosed
EP-0166439-B1 4H-pyrimido[2,1-a]isoquinolin-4-one derivatives G.D. Searle & Co. (US) 1990-05-09 EP disclosed
US-4661592-A ANORECTIC AGENTS G. D. SEARLE & CO. (US) 1987-04-28 US disclosed
US-4661592-A ANORECTIC AGENTS G. D. SEARLE & CO. (US) 1987-04-28 US disclosed
US-4661592-A ANORECTIC AGENTS G. D. SEARLE & CO. (US) 1987-04-28 US disclosed
EP-0166439-A2 4H-pyrimido[2,1-a]isoquinolin-4-one derivatives G.D. Searle & Co. (US) 1986-01-02 EP disclosed
EP-0166439-A2 4H-pyrimido[2,1-a]isoquinolin-4-one derivatives G.D. Searle & Co. (US) 1986-01-02 EP disclosed
EP-0166439-A2 4H-pyrimido[2,1-a]isoquinolin-4-one derivatives G.D. Searle & Co. (US) 1986-01-02 EP disclosed
US-4127720-A ANTIALLERGENS BRISTOL-MYERS COMPANY (US) 1978-11-28 US 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-20040192687-A1 Dna-pk inhibitors ATM, CHEK1, XRCC6 PRKDC 92/4885MTOR 803/4885ADORA3 1078/4885

“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.