SCHEMBL824577

SCHEMBL824577

O=C(Nc1cccnc1)Nc1ccccc1F

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.69
HTT P42858 4/20 0.69
AHR P35869 1/20 0.64
RAB9A P51151 6/20 0.64
NPC1 O15118 5/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
KDM4E B2RXH2 1/20 0.63
HSD17B10 Q99714 1/20 0.63
TAAR1 Q96RJ0 1/20 0.62
MEN1 O00255 6/20 0.60
LMNA P02545 4/20 0.60
POLB P06746 1/20 0.60
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.58
MAPT P10636 4/20 0.58
ATM Q13315 1/20 0.58
ALDH1A1 P00352 1/20 0.56
PKM P14618 1/20 0.55

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
SCHEMBL5950287 0.88 TAAR1 (0.63) KMT2AHTTAHRRAB9ANPC1
SCHEMBL22926423 0.84 HTT (0.70) KMT2AHTTAHRRAB9ANPC1
SCHEMBL30051982 0.83 MEN1 (0.77) KMT2AHTTRAB9ANPC1KDM4E
SCHEMBL9637653 0.83 MEN1 (0.77) KMT2AHTTRAB9ANPC1KDM4E
SCHEMBL21834403 0.82 NPC1 (0.81) KMT2AHTTRAB9ANPC1SMN1; SMN2
SCHEMBL10665495 0.82 RAB9A (0.79) KMT2AHTTAHRRAB9ANPC1
SCHEMBL22926342 0.82 HTT (1.00) KMT2AHTTAHRRAB9ANPC1
SCHEMBL17079604 0.82 MEN1 (0.74) KMT2AHTTAHRRAB9ANPC1
Hydrochloric Acid SCHEMBL29388210 0.82 MEN1 (0.74) KMT2AHTTRAB9ANPC1KDM4E
Bromide SCHEMBL29417998 0.82 MEN1 (0.74) KMT2AHTTRAB9ANPC1KDM4E

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-20210022340-A1 USE OF PYRIDINE UREA COMPOUND HAVING SNAIL-KILLING ACTIVITY THE NATIONAL INSTITUTE OF PARASITIC DISEASES, CHINESE CENTER FOR DISEASE CONTROL AND PREVENTION (CN) 2021-01-28 US disclosed
US-8143293-B2 disease caused by c-Abl kinase, c-Kit kinase, oncogenic forms, aberrant fusion proteins and polymorphs; 1-(3-t-butylisoxazol-5-yl)-3-(2-fluoro-4-(2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yloxy)phenyl)urea DECIPHERA PHARMACEUTICALS, LLC (US) 2012-03-27 US disclosed
US-20110189167-A1 Methods and Compositions for the Treatment of Myeloproliferative Diseases and other Proliferative Diseases DECIPHERA PHARMACEUTICALS, LLC 2011-08-04 US disclosed
US-20080261961-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-23 US disclosed
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-23 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 (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-20110189167-A1 Methods and Compositions for the Treatment of Myeloproliferative Diseases and other Proliferative Diseases MCL1, NRAS, ABL1 KMT2A 1819/4885HTT 3179/4885AHR 3628/4885
US-20210022340-A1 USE OF PYRIDINE UREA COMPOUND HAVING SNAIL-KILLING ACTIVITY SLC14A1, UACA, UROD KMT2A 4029/4885HTT 4212/4885AHR 3321/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF KMT2A 658/4885HTT 1939/4885AHR 1838/4885
US-20080261961-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, BRAF, RET KMT2A 743/4885HTT 1801/4885AHR 2098/4885

“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.