SCHEMBL2557636

SCHEMBL2557636

Cc1ccc(-n2nc(C3CC3)cc2N)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.63
RAB9A P51151 7/20 0.63
SMN1; SMN2 Q16637 7/20 0.63
LMNA P02545 4/20 0.63
TP53 P04637 2/20 0.63
PKM P14618 1/20 0.63
MAPT P10636 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.55
TSHR P16473 1/20 0.55
ALDH1A1 P00352 2/20 0.51
STAT1 P42224 1/20 0.51
KCNJ6 P48051 3/20 0.47
KCNJ3 P48549 3/20 0.47
MAPK1 P28482 1/20 0.44

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 SCHEMBL3168718 0.98 NPC1 (0.61) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL13532140 0.94 NPC1 (0.73) NPC1RAB9ASMN1; SMN2LMNATP53
Hydrochloric Acid SCHEMBL3184591 0.92 NPC1 (0.71) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL13532164 0.92 NPC1 (0.71) NPC1RAB9ASMN1; SMN2LMNATP53
Hydrochloric Acid SCHEMBL3174952 0.91 NPC1 (0.69) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2556549 0.90 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL12616231 0.84 NPC1 (0.50) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL1011586 0.83 RAB9A (0.88) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL18038915 0.82 RAB9A (0.65) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL18038904 0.79 NPC1 (0.61) NPC1RAB9ASMN1; SMN2LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10358445-B2 Respiratory formulations and compounds for use therein Respivert, Ltd. (GB) 2019-07-23 US disclosed
US-10358445-B2 Respiratory formulations and compounds for use therein Respivert, Ltd. (GB) 2019-07-23 US disclosed
EP-2556068-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2019-01-23 EP disclosed
EP-2556068-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2019-01-23 EP disclosed
US-20180201611-A1 Respiratory formulations and compounds for use therein RESPIVERT LTD. (GB) 2018-07-19 US disclosed
US-20180201611-A1 Respiratory formulations and compounds for use therein RESPIVERT LTD. (GB) 2018-07-19 US disclosed
US-20180201611-A1 Respiratory formulations and compounds for use therein RESPIVERT LTD. (GB) 2018-07-19 US disclosed
US-9701670-B2 Pyrazolyl-ureas as kinase inhibitors RESPIVERT LIMITED (GB) 2017-07-11 US disclosed
US-9701670-B2 Pyrazolyl-ureas as kinase inhibitors RESPIVERT LIMITED (GB) 2017-07-11 US disclosed
US-9701670-B2 Pyrazolyl-ureas as kinase inhibitors RESPIVERT LIMITED (GB) 2017-07-11 US disclosed
US-20130040962-A1 P38 MAP Kinase Inhibitors RESPIVERT LTD (GB) 2013-02-14 US disclosed
US-20130040962-A1 P38 MAP Kinase Inhibitors RESPIVERT LTD (GB) 2013-02-14 US disclosed
EP-2556068-A1 P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2013-02-13 EP disclosed
WO-2011158044-A2 RESPIRATORY FORMULATIONS AND COMPOUNDS FOR USE THEREIN RESPIVERT LIMITED (GB) 2011-12-22 WO disclosed
WO-2011158044-A2 RESPIRATORY FORMULATIONS AND COMPOUNDS FOR USE THEREIN RESPIVERT LIMITED (GB) 2011-12-22 WO disclosed
WO-2011124930-A1 P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2011-10-13 WO disclosed
WO-2011124930-A1 P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2011-10-13 WO disclosed
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
CN-101316841-A Arylmethylene urea derivative and use thereof TORAY INDUSTRIES (JP) 2008-12-03 CN disclosed
EP-1970375-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 2008-09-17 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-10358445-B2 Respiratory formulations and compounds for use therein TSLP, CCL11, RORB NPC1 547/4885RAB9A 592/4885SMN1; SMN2 1893/4885
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF UROD, UTS2R, SLC14A1 NPC1 3662/4885RAB9A 3416/4885SMN1; SMN2 1714/4885
US-20130040962-A1 P38 MAP Kinase Inhibitors MAPK15, MAPK1, MAP3K15 NPC1 3262/4885RAB9A 880/4885SMN1; SMN2 4311/4885
US-20180201611-A1 Respiratory formulations and compounds for use therein TSLP, CCL11, RORB NPC1 547/4885RAB9A 592/4885SMN1; SMN2 1893/4885

“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.