SCHEMBL4979282

SCHEMBL4979282

CN(c1ncccc1C(=O)O)c1c[nH]c2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.49
CAMKK2 Q96RR4 3/20 0.46
ADORA2A P29274 1/20 0.42
CAMKK1 Q8N5S9 1/20 0.42
MTNR1A P48039 1/20 0.41
NAPRT Q6XQN6 2/20 0.41
KMT2A Q03164 1/20 0.40
DYRK1A Q13627 2/20 0.40
AXL P30530 1/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MET P08581 2/20 0.39
GPR84 Q9NQS5 1/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 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
SCHEMBL415671 0.80 CAMKK2 (0.59) MAP2K1CAMKK2ADORA2ACAMKK1MTNR1A
SCHEMBL985214 0.77 MAP2K1 (0.71) MAP2K1CAMKK2ADORA2ACAMKK1MTNR1A
SCHEMBL29468201 0.77 MAP2K1 (0.71) MAP2K1CAMKK2ADORA2ACAMKK1MTNR1A
SCHEMBL416919 0.76 MET (0.48) MAP2K1CAMKK2ADORA2AMTNR1AKMT2A
Hydrochloric Acid SCHEMBL3608101 0.76 MAP2K1 (0.69) MAP2K1CAMKK2ADORA2ACAMKK1MTNR1A
Methoxymethane SCHEMBL28146835 0.75 MAP2K1 (0.77) MAP2K1CAMKK2ADORA2ACAMKK1MTNR1A
SCHEMBL9172371 0.74 DYRK1A (0.55) MAP2K1CAMKK2MTNR1AKMT2ADYRK1A
SCHEMBL10427732 0.73 NAPRT (0.51) NAPRTKMT2AKDM4ETDP1ALDH1A1
SCHEMBL17451035 0.73 CDC7 (0.45) MAP2K1CAMKK2MTNR1AKMT2ADYRK1A
SCHEMBL4290255 0.72 NAPRT (0.58) NAPRTKMT2AKDM4ETDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 EP disclosed
EP-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 EP disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 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 (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-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS MAP2K1 4014/4885CAMKK2 3863/4885ADORA2A 1570/4885

“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.