SCHEMBL7047409

SCHEMBL7047409

CNc1cccc(C[NH])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
APP P05067 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.37
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
HTR6 P50406 1/20 0.35
MAPT P10636 4/20 0.34
MEN1 O00255 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
TAAR1 Q96RJ0 5/20 0.33
SIGMAR1 Q99720 2/20 0.33
SLC18A2 Q05940 1/20 0.33
GRIN2D O15399 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
SCHEMBL18905641 0.84 TSHR (0.48) TSHRAPPRAPGEF4SAE1UBA2
SCHEMBL3617649 0.80 RAPGEF4 (0.55) TSHRRAPGEF4MAPTMEN1RAB9A
SCHEMBL12838129 0.79 TSHR (0.39) TSHRAPPRAPGEF4SAE1UBA2
SCHEMBL2642456 0.79 THRA (0.41) RAPGEF4MAPTMEN1RAB9AKMT2A
SCHEMBL2291506 0.78 HTR6 (0.50) TSHRAPPHTR6SMN1; SMN2CYP3A4
SCHEMBL21233397 0.78 IDO1 (0.48) TSHRAPPRAPGEF4HTR6MAPT
SCHEMBL3150743 0.78 PDK1 (0.49) TSHRAPPMAPTRAB9ANPC1
SCHEMBL12707605 0.78 TSHR (0.54) TSHRAPPHTR6MAPTMEN1
Hydrochloric Acid SCHEMBL2868312 0.78 RAPGEF4 (0.53) RAPGEF4MAPTMEN1RAB9AKMT2A
SCHEMBL10061632 0.78 KDM4E (0.52) TSHRAPPMAPTCYP3A4NOS1

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
US-9321756-B2 Azole compounds as PIM inhibitors AMGEN INC. (US) 2016-04-26 US claimed
US-20140187553-A1 Azole Compounds as PIM Inhibitors AMGEM INC. (US) 2014-07-03 US claimed
EP-2688886-A1 AZOLE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-01-29 EP claimed
WO-2012129338-A1 AZOLE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-09-27 WO claimed
US-9321756-B2 Azole compounds as PIM inhibitors AMGEN INC. (US) 2016-04-26 US disclosed
US-20140187553-A1 Azole Compounds as PIM Inhibitors AMGEM INC. (US) 2014-07-03 US disclosed
EP-2688886-A1 AZOLE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-01-29 EP disclosed
WO-2012129338-A1 AZOLE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-09-27 WO disclosed
EP-0882715-B1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA CHEMICAL IND CO LTD (JP) 2003-04-23 EP disclosed
US-6339045-B1 CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-15 US disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 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 (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-20140187553-A1 Azole Compounds as PIM Inhibitors PIM1, PIM3, PIM2 TSHR 4495/4885APP 2709/4885RAPGEF4 4156/4885

“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.