SCHEMBL2902914

SCHEMBL2902914

Fc1ccccc1-n1c[c]cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
MGLL Q99685 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM4 Q14833 1/20 0.37
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.36
USP7 Q93009 1/20 0.36
ADORA1 P30542 1/20 0.36
ADORA3 P0DMS8 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
MTOR P42345 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL2753711 0.85 RXRA (0.38)
SCHEMBL2750835 0.78 EGLN2 (0.32)
SCHEMBL2751104 0.77 RXRA (0.35)
SCHEMBL2750596 0.77 NPC1 (0.35) ALDH1A1RAB9APTGS1PTGS2
SCHEMBL5659872 0.76 ADRB1 (0.40) NOTUMMGLLMEN1KMT2AALDH1A1
SCHEMBL2897703 0.76 BCHE (0.42) NOTUMMGLLMEN1KMT2AALDH1A1
SCHEMBL2897047 0.76 ALDH1A1 (0.44) MEN1KMT2AALDH1A1TDP1
SCHEMBL19212320 0.73 KDM4E (0.42) KMT2AALDH1A1DRD2DRD4
SCHEMBL2820799 0.71 NOTUM (0.44) NOTUMMGLLMEN1KMT2AGRM4
SCHEMBL430176 0.70 GAA (0.42) NOTUMGRM4RAB9AHPGDPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850268-A Pyrrolopyrimidines as CFTR potentiators 囊性纤维化基金会 2023-03-28 CN disclosed
CN-110337294-B Pyrrolopyrimidines as CFTR potentiators 囊性纤维化基金会 2022-11-01 CN disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 EP disclosed
US-7589096-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-15 US disclosed
EP-1566384-B1 NOVEL AZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-06-17 EP disclosed
US-20080188507-A1 Novel azole derivatives MSD K.K. (JP) 2008-08-07 US disclosed
US-7365079-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-29 US disclosed
US-20060264419-A1 Substituted pyrazoles MERCK PATENT GMBH (DE) 2006-11-23 US disclosed
US-20060111380-A1 Novel azole derivatives MSD K.K. (JP) 2006-05-25 US disclosed
EP-1566384-A1 NOVEL AZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-24 EP 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-20080188507-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R NOTUM 2706/4885MGLL 2677/4885MEN1 207/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R NOTUM 2436/4885MGLL 2927/4885MEN1 198/4885
US-20060264419-A1 Substituted pyrazoles HTR3A, HTR1A, HTR1D NOTUM 4252/4885MGLL 3939/4885MEN1 2796/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR NOTUM 945/4885MGLL 2293/4885MEN1 2671/4885

“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.