SCHEMBL601500

SCHEMBL601500

CC(=O)Nc1c(N)cccc1F

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.72
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 2/20 0.43
HDAC3 O15379 2/20 0.43
HDAC2 Q92769 2/20 0.43
NCOR2 Q9Y618 1/20 0.43
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL30954547 1.00 HDAC1 (0.72) HDAC1SMN1; SMN2ALDH1A1KMT2AHDAC3
SCHEMBL1430230 0.86 KMT2A (0.55) HDAC1SMN1; SMN2ALDH1A1KMT2ACYP1A2
SCHEMBL15549974 0.85 HDAC1 (1.00) HDAC1SMN1; SMN2ALDH1A1KMT2AHDAC3
SCHEMBL4726032 0.83 HDAC1 (0.56) HDAC1ALDH1A1KMT2AHDAC3HDAC2
SCHEMBL11022909 0.79 HDAC1 (0.49) HDAC1ALDH1A1KMT2AHDAC3HDAC2
SCHEMBL12247210 0.79 ALDH1A1 (0.50) HDAC1SMN1; SMN2ALDH1A1KMT2AHDAC3
SCHEMBL2792321 0.79 HDAC1 (0.49) HDAC1SMN1; SMN2ALDH1A1KMT2ACYP1A2
SCHEMBL27562738 0.79 HDAC1 (0.49) HDAC1SMN1; SMN2ALDH1A1KMT2ACYP1A2
SCHEMBL3598057 0.79 ALDH1A1 (0.50) HDAC1SMN1; SMN2ALDH1A1KMT2ACYP1A2
SCHEMBL20050944 0.79 HDAC1 (0.52) HDAC1ALDH1A1KMT2AHDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084678-A Preparation method of 2-bromo-6-fluoroaniline 长沙唯楚医药科技有限公司 2024-05-28 CN claimed
CN-118084678-A Preparation method of 2-bromo-6-fluoroaniline 长沙唯楚医药科技有限公司 2024-05-28 CN disclosed
CN-118084678-A Preparation method of 2-bromo-6-fluoroaniline 长沙唯楚医药科技有限公司 2024-05-28 CN disclosed
EP-2475648-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS Cellzome Limited (GB) 2012-07-18 EP disclosed
US-20120172385-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-07-05 US disclosed
US-20120172385-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-07-05 US disclosed
US-20120172385-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-07-05 US disclosed
EP-2419423-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS Cellzome Limited (GB) 2012-02-22 EP disclosed
US-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2012-02-16 US disclosed
US-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2012-02-16 US disclosed
US-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2012-02-16 US disclosed
WO-2011029807-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-03-17 WO disclosed
WO-2011029807-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-03-17 WO disclosed
WO-2010118986-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2010-10-21 WO disclosed
WO-2010118986-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2010-10-21 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 (2 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-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS JAK3, JAK2, JAK1 HDAC1 2889/4885SMN1; SMN2 4457/4885ALDH1A1 2492/4885
US-20120172385-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS JAK3, JAK1, JAK2 HDAC1 2765/4885SMN1; SMN2 4196/4885ALDH1A1 2743/4885

“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.