SCHEMBL319880

SCHEMBL319880

CSC(=N)Nc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 4/20 0.46
HTT P42858 3/20 0.46
RAB9A P51151 3/20 0.45
MEN1 O00255 6/20 0.44
POLB P06746 1/20 0.44
IDO1 P14902 1/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
XBP1 P17861 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
LMNA P02545 1/20 0.42
TGM2 P21980 1/20 0.42

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
Hydrochloric Acid SCHEMBL10827444 0.98 KMT2A (0.46) KMT2AALDH1A1MAPTHTTRAB9A
SCHEMBL14949457 0.80 MAPT (0.50) KMT2AALDH1A1MAPTRAB9AMEN1
SCHEMBL14278530 0.78 MEN1 (0.47) KMT2AALDH1A1MAPTHTTRAB9A
SCHEMBL27680025 0.78 IDO1 (0.53) KMT2AALDH1A1MAPTRAB9AMEN1
SCHEMBL7670022 0.78 ALDH1A1 (0.48) KMT2AALDH1A1MAPTHTTRAB9A
Iodide SCHEMBL10827679 0.78 TDP1 (0.48) KMT2AALDH1A1MAPTHTTRAB9A
SCHEMBL7403710 0.77 HSD17B10 (0.48) KMT2AALDH1A1MAPTRAB9AMEN1
SCHEMBL19373774 0.77 MEN1 (0.52) KMT2AALDH1A1MAPTHTTRAB9A
Iodide SCHEMBL6340120 0.77 ALDH1A1 (0.47) KMT2AALDH1A1MAPTHTTRAB9A
Iodide SCHEMBL16697959 0.77 MEN1 (0.46) KMT2AALDH1A1MAPTHTTRAB9A

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11351164-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2022-06-07 US disclosed
US-20210283123-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-09-16 US disclosed
EP-3503916-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE Bristol-Myers Squibb Company (US) 2019-07-03 EP disclosed
CN-109843322-A The inhibitor and its application method of indole amine 2,3-dioxygenase 百时美施贵宝公司 2019-06-04 CN disclosed
WO-2018039518-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-01 WO disclosed
EP-2585068-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Janssen Pharmaceutica, N.V. (BE) 2013-05-01 EP disclosed
EP-1866290-B1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-05-01 EP disclosed
EP-1866290-B1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-05-01 EP disclosed
US-8362247-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-29 US disclosed
US-8362247-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-29 US disclosed
EP-1869006-A1 PYRIMIDINDIONE DERIVATIVES AS PROKINETICIN 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-26 EP disclosed
EP-1866290-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2007-12-19 EP disclosed
US-20070021422-A1 Prokineticin 1 receptor JANSSEN PHARMACEUTICA NV (BE) 2007-01-25 US disclosed
US-20070021422-A1 Prokineticin 1 receptor JANSSEN PHARMACEUTICA NV (BE) 2007-01-25 US disclosed
US-20070021422-A1 Prokineticin 1 receptor JANSSEN PHARMACEUTICA NV (BE) 2007-01-25 US disclosed
US-20060235018-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-19 US disclosed
WO-2006104715-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-10-05 WO disclosed
WO-2006104713-A1 PYRIMIDINDIONE DERIVATIVES AS PROKINETICIN 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-10-05 WO disclosed
WO-2006102112-A2 PROKINETICIN 1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-28 WO disclosed
CN-87102765-A The preparation method of sweeting agent N-guanidines guanidine-acetic acid and N-phenyl ethanamidine guanidine-acetic acid derivative and the prescription of this class sweeting agent 1987-10-21 CN 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-11351164-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT KMT2A 469/4885ALDH1A1 868/4885MAPT 2294/4885
US-20060235018-A1 Prokineticin 1 receptor antagonists PROKR1, PROKR2, GIPR KMT2A 4664/4885ALDH1A1 3674/4885MAPT 4202/4885
US-20210283123-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT KMT2A 469/4885ALDH1A1 868/4885MAPT 2294/4885
US-20070021422-A1 Prokineticin 1 receptor PROKR1, PROKR2, GIPR KMT2A 4529/4885ALDH1A1 3305/4885MAPT 4644/4885

“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.