SCHEMBL3073947

SCHEMBL3073947

Cc1nnc(O)c(-c2c(F)cc(F)cc2F)c1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.38
NR1I2 O75469 1/20 0.35
CASR P41180 1/20 0.35
AR P10275 1/20 0.35
BRD4 O60885 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NQO1 P15559 1/20 0.33
ALOX5 P09917 1/20 0.33
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HSD17B3 P37058 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32

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
SCHEMBL3068585 0.90 PTGS1 (0.39) PLA2G2AARALDH1A1SMN1; SMN2GLA
SCHEMBL3074091 0.87 KMT2A (0.36) ARNPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL16858285 0.73 NR1H2 (0.37) ARBRD4NPC1RAB9AKDM4E
SCHEMBL3063211 0.73 KMT2A (0.38) ARNPC1KDM4ENPSR1
SCHEMBL3060845 0.73 AR (0.32) ARALDH1A1SMN1; SMN2NPSR1HPGD
SCHEMBL3063123 0.73 TAAR1 (0.35) KDM4ESMN1; SMN2HPGD
SCHEMBL3053121 0.73 CCR2 (0.38) KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL3076554 0.69 KMT2A (0.37) PLA2G2ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3073957 0.68 HPGD (0.34) ARALDH1A1SMN1; SMN2HPGD
SCHEMBL3068887 0.68 SMN1; SMN2 (0.40) NPC1ALDH1A1SMN1; SMN2HPGD

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-20100273804-A1 PYRIDAZINE DERIVATIVES USEFUL AS FUNGICIDES AND FOR THE TREATMENT OF CANCER SYNGENTA CROP PROTECTION, INC. (US) 2010-10-28 US claimed
EP-2220051-A1 PYRIDAZINE DERIVATIVES USEFUL AS FUNGICIDES AND FOR THE TREATMENT OF CANCER Syngenta Participations AG (CH) 2010-08-25 EP claimed
WO-2009080314-A1 PYRIDAZINE DERIVATIVES USEFUL AS FUNGICIDES AND FOR THE TREATMENT OF CANCER SYNGENTA PARTICIPATIONS AG (CH) 2009-07-02 WO claimed
US-20100273804-A1 PYRIDAZINE DERIVATIVES USEFUL AS FUNGICIDES AND FOR THE TREATMENT OF CANCER SYNGENTA CROP PROTECTION, INC. (US) 2010-10-28 US disclosed
EP-2220051-A1 PYRIDAZINE DERIVATIVES USEFUL AS FUNGICIDES AND FOR THE TREATMENT OF CANCER Syngenta Participations AG (CH) 2010-08-25 EP disclosed
WO-2009080314-A1 PYRIDAZINE DERIVATIVES USEFUL AS FUNGICIDES AND FOR THE TREATMENT OF CANCER SYNGENTA PARTICIPATIONS AG (CH) 2009-07-02 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-20100273804-A1 PYRIDAZINE DERIVATIVES USEFUL AS FUNGICIDES AND FOR THE TREATMENT OF CANCER C3AR1, CBR3, C1S PLA2G2A 2168/4885NR1I2 1221/4885CASR 1715/4885

“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.